A0A060WU02_ONCMY Loading...

HCLS1 associated protein X-1

AlphaFold DB , UniProt , Accession A0A060WU02, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene HAX1, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.1Low56.5Low235 Ų235137.5 Ų137.5100%1.15869%0.687SS**  0122.20-75.9162.613000107.1
2S56.9Low55.9Low71 Ų71131.5 Ų131.550%0.49769%0.687SS.*  trans-77.3144.8-171.2-175.50000110.8F4 D5S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 WeakPolarHBondContact OG-CD2 3.43Å; S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.44Å; S2-D5 PolarHBondContact O-N 3.25Å
3L56.1Low55.5Low124 Ų124129 Ų12965%0.64968%0.68SS**Hα-helixtrans-56.5-29.1176.6-155.278000111.8D5 L6L3-D5 PolarHBondContact O-N 3.48Å; L3-L6 PolarHBondContact O-N 2.73Å
4F53.9Low55Low167 Ų167128.1 Ų128.173%0.73269%0.685SS**Hα-helixtrans-65.2-23.3175.8-67.6-85.8000113.7S2 R8S2-F4 PolarHBondContact O-N 2.81Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 WeakPolarHBondContact OG-CD2 3.43Å; F4-R8 PolarHBondContact O-N 3.07Å
5D57.5Low54.2Low102 Ų102123.8 Ų123.855%0.54568%0.684SS.*Hα-helixtrans-79.2-30.1177.4-125.47.7000111.7S2 L3 R8S2-D5 VanDerWaalsContact O-CB 3.27Å; S2-D5 WeakPolarHBondContact O-CB 3.44Å; S2-D5 PolarHBondContact O-N 3.25Å; L3-D5 PolarHBondContact O-N 3.48Å; D5-R8 PolarHBondContact O-N 3.44Å
6L64.9Low53.4Low130 Ų130121 Ų12168%0.68169%0.692SS**Hα-helixtrans-69.8-34.6176.7-172.261.5000111.8L3L3-L6 PolarHBondContact O-N 2.73Å
7F57.5Low52.7Low135 Ų135117.7 Ų117.759%0.59269%0.69SS**Hα-helixtrans-74.4-30.1176.6-86.9-88.3000113.4G9 F10F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.73Å; F7-F10 PolarHBondContact O-N 3.2Å
8R60Low52.5Low163 Ų163121.8 Ų121.862%0.61570%0.701SS**Hα-helixtrans-67.7-30.6176-82.1-177.6-179.1179.70.3113.4F4 D5 F10F4-R8 PolarHBondContact O-N 3.07Å; D5-R8 PolarHBondContact O-N 3.44Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.42Å
9G54.4Low51.9Low68 Ų68123.7 Ų123.770%0.70171%0.709SS**Hα-helixtrans-67.3-26.8176.500000114F7F7-G9 VanDerWaalsContact C-N 3.32Å; F7-G9 PolarHBondContact O-N 2.73Å
10F56.1Low51.6Low166 Ų166129.8 Ų129.873%0.72872%0.72SS**Hα-helixtrans-79.7-28.2-175.8-165.5-98000113.5F7 R8F7-F10 PolarHBondContact O-N 3.2Å; R8-F10 VanDerWaalsContact C-N 3.29Å; R8-F10 PolarHBondContact O-N 3.42Å
11F54.3Low51Low151 Ų151126.7 Ų126.766%0.66272%0.718SS**THydrogen-bonded Turntrans-104.98-175.9-71.9-79.3000114.9V13F11-V13 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact O-N 3.14Å
12G48.9Very low50.8Low66 Ų66124.6 Ų124.668%0.6871%0.705SS**THydrogen-bonded Turntrans61.126.7170.800000114.9P14G12-P14 WeakPolarHBondContact O-CD 3.48Å
13V51.5Low50.5Low99 Ų99124.3 Ų124.360%0.671%0.713SS**  trans-81.7115.7172.4-175.90000107.5F11 G15F11-V13 PolarHBondContact O-N 3.14Å; F11-V13 VanDerWaalsContact O-N 3.14Å; V13-G15 PolarHBondContact O-N 3.39Å; V13-G15 VanDerWaalsContact O-N 3.13Å
14P47.3Very low50.3Low116 Ų116130.3 Ų130.375%0.75373%0.727SS**  trans-60.9122176.2-15.628.7000108.4G12 G16G12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-G16 PolarHBondContact O-N 3.44Å
15G43.3Very low50.2Low64 Ų64133.7 Ų133.766%0.6674%0.735SS**  trans-58.9105.2168.400000108.6V13 G17V13-G15 PolarHBondContact O-N 3.39Å; V13-G15 VanDerWaalsContact O-N 3.13Å; G15-G17 VanDerWaalsContact C-N 3.32Å; G15-G17 PolarHBondContact O-N 3.4Å
16G42.4Very low49.9Very low79 Ų79133.8 Ų133.881%0.81474%0.735SS**  trans-66.492.1174.800000109.6P14P14-G16 PolarHBondContact O-N 3.44Å
17G41.2Very low49.8Very low65 Ų65133.2 Ų133.267%0.6774%0.739SS**  trans-57.5141157.200000109G15 D19G15-G17 VanDerWaalsContact C-N 3.32Å; G15-G17 PolarHBondContact O-N 3.4Å; G17-D19 PolarHBondContact O-N 2.9Å
18H49.2Very low49.8Very low191 Ų191135 Ų13588%0.88475%0.747SS**  trans-41.8109.9174.9-63.5124000112.2
19D40.7Very low49.4Very low159 Ų159133.7 Ų133.785%0.8575%0.747SS**  trans-145.8122.7152.3-92.3-47.4000111.2G17G17-D19 PolarHBondContact O-N 2.9Å
20R44.7Very low49.4Very low245 Ų245136.8 Ų136.893%0.92575%0.747SS**  trans-25.7137.8166.6-77.3166.9162.9163.9-4.5115.8
21G40.3Very low49.1Very low65 Ų65132.1 Ų132.167%0.6775%0.746SS**  trans104.6134136.600000115.6
22E45.7Very low49Very low191 Ų191133.1 Ų133.189%0.89375%0.754SS**  trans59.597.6159.2-11182.8-172.900119
23G51.2Low49.3Very low65 Ų65135.8 Ų135.867%0.6776%0.758SS**  61.587.9118.100000118.1
24R50.5Low49Very low249 Ų249138 Ų13894%0.9476%0.761SS**  trans16984.2135-89.4156.7-159.8-76.81.1108.1
25R53Low49.3Very low238 Ų238138.7 Ų138.790%0.89876%0.758SS**  trans-88137.2166.5-72-176.9177.9162.7-1.9108.7
26D51Low49.7Very low104 Ų104141.6 Ų141.656%0.55676%0.759SS**  trans-70.6124-176.7-164.6-4.1000109.4F28 F29D26-F28 PolarHBondContact O-N 3.19Å; D26-F29 HydrophobicContact CB-CD2 4.48Å; D26-F29 PolarHBondContact O-N 3.29Å
27P62.8Low50.3Low118 Ų118144.1 Ų144.177%0.76675%0.754SS**THydrogen-bonded Turntrans-59.4-6.9-177.322-34.5000114.6
28F57.5Low51Low172 Ų172147.9 Ų147.975%0.75476%0.758SS**THydrogen-bonded Turntrans-75.2-22178.8-136.1-91.1000114.5D26D26-F28 PolarHBondContact O-N 3.19Å
29F51.2Low51.3Low137 Ų137145.4 Ų145.460%0.60175%0.752SS**SBendtrans-116.16.9-171.9-64.4-80.4000114.7D26 G31 M32D26-F29 HydrophobicContact CB-CD2 4.48Å; D26-F29 PolarHBondContact O-N 3.29Å; F29-G31 PolarHBondContact O-N 2.97Å; F29-M32 PolarHBondContact O-N 3.26Å
30D53.4Low52Low133 Ų133145 Ų14571%0.71175%0.75SS**THydrogen-bonded Turntrans-69.2-15.4-172-148.738000113.9
31G51.7Low52.4Low68 Ų68140.3 Ų140.370%0.70174%0.743SS**THydrogen-bonded Turntrans-98.6-8.2-178.900000116F29F29-G31 PolarHBondContact O-N 2.97Å
32M51.4Low52.9Low171 Ų171145.9 Ų145.984%0.84275%0.752SS**SBendtrans-97.8-4.9-171.2-113.4107.5-149.100114.7F29F29-M32 PolarHBondContact O-N 3.26Å
33T55Low52.9Low123 Ų123145.1 Ų145.176%0.75575%0.748SS**  trans-127.728.2-179.465.40000112.4D35T33-D35 PolarHBondContact O-N 3.27Å
34H46.1Very low52.4Low144 Ų144150.6 Ų150.667%0.66776%0.756SS**  trans-76.1104.7168.3-160.550.8000107.4D36H34-D36 IonicContact CD2-OD1 3.15Å; H34-D36 PolarHBondContact CD2-OD1 2.95Å; H34-D36 IonicContact NE2-OD1 3.56Å; H34-D36 PolarHBondContact O-N 3.25Å; H34-D36 VanDerWaalsContact O-N 3.13Å
35D52.3Low52Low131 Ų131146.2 Ų146.270%0.70175%0.751SS**  trans-61.5101.9159.4-92-29.2000106.8T33 D37T33-D35 PolarHBondContact O-N 3.27Å; D35-D37 PolarHBondContact O-N 3.36Å
36D51.7Low51.3Low125 Ų125137.6 Ų137.667%0.66874%0.737SS**  trans-79.382.2156.1-71.9-40.3000106.3H34 D38H34-D36 IonicContact CD2-OD1 3.15Å; H34-D36 PolarHBondContact CD2-OD1 2.95Å; H34-D36 IonicContact NE2-OD1 3.56Å; H34-D36 PolarHBondContact O-N 3.25Å; H34-D36 VanDerWaalsContact O-N 3.13Å; D36-D38 PolarHBondContact O-N 3.23Å
37D55.7Low50.8Low132 Ų132140.5 Ų140.571%0.70675%0.751SS**  trans-68.279.2160.6-79.6-30.6000107.6D35D35-D37 PolarHBondContact O-N 3.36Å
38D56.3Low49.5Very low144 Ų144145.3 Ų145.377%0.7776%0.755SS**  trans-92.894.9159.9-90-24000107.7D36 D40D36-D38 PolarHBondContact O-N 3.23Å; D38-D40 PolarHBondContact O-N 3.43Å; D38-D40 VanDerWaalsContact O-N 3.11Å
39D55.4Low48.8Very low139 Ų139146.9 Ų146.974%0.74376%0.762SS**  trans-60.597.8161.9-72.8-41.8000109
40D55.3Low48Very low152 Ų152147.6 Ų147.681%0.81377%0.772SS**  trans-117.293157.7-89.4-26.2000108.8D38 E42D38-D40 PolarHBondContact O-N 3.43Å; D38-D40 VanDerWaalsContact O-N 3.11Å; D40-E42 PolarHBondContact O-N 3.31Å
41D52.3Low47Very low146 Ų146143.1 Ų143.178%0.78176%0.757SS**  trans-68.196.3166.3-68.5-45.1000110.1
42E52.2Low46.7Very low181 Ų181145.5 Ų145.585%0.84676%0.763SS**  trans-135.482.9159.9-69.8-174.7169.300110.3D40D40-E42 PolarHBondContact O-N 3.31Å
43E44.1Very low46.2Very low176 Ų176146.8 Ų146.882%0.82277%0.767SS**  36.6117128.1-62.7167.318000119.5
44E41.8Very low45.2Very low180 Ų180144.9 Ų144.984%0.84177%0.772SS**  trans61.5107.2131.5-168.9164.9-136.500116.4
45D40.9Very low44.3Very low156 Ų156141.9 Ų141.983%0.83478%0.78SS**  175.7161.777.250-7.9000113.8
46G38.3Very low43.9Very low58 Ų58140.2 Ų140.260%0.59879%0.793SS**  trans104.166.6138.600000119.6Y48G46-Y48 PolarHBondContact O-N 3.29Å
47I41.2Very low43.1Very low165 Ų165137.5 Ų137.585%0.84680%0.795SS**  trans-64.3110.5157.8-39.7168.4000108.6
48Y36.6Very low42.3Very low219 Ų219139.4 Ų139.486%0.85980%0.8SS**  trans-133.4102.1160.7-77.1-80.6000111.7G46G46-Y48 PolarHBondContact O-N 3.29Å
49F41.4Very low41.5Very low204 Ų204140.4 Ų140.490%0.89580%0.8SS**  trans-73.3113.9152.9-166.8-89.4000106.7
50D34.6Very low40.8Very low153 Ų153138 Ų13882%0.81879%0.787SS**  trans-131.1123.2163.9-170.326000110.6
51G33.8Very low40.5Very low38 Ų38137.9 Ų137.939%0.39279%0.786SS.*  trans-93.2152.8176.400000110.5
52S44.3Very low39.9Very low119 Ų119138.8 Ų138.883%0.83278%0.783SS**  trans56.9102.9156.858.70000117.3
53Q40.4Very low39.8Very low198 Ų198135 Ų13593%0.92577%0.769SS**  150.3115.1103.7-170.2161.83000112.1
54G34.2Very low40.1Very low83 Ų83130.6 Ų130.686%0.85675%0.75SS**  trans97.598.8145.700000117.4
55G28Very low40.6Very low80 Ų80125.4 Ų125.483%0.82573%0.726SS**  trans-174.992.5162.500000111.2G57G55-G57 PolarHBondContact O-N 3.22Å
56G43.3Very low41Very low96 Ų96127.3 Ų127.399%0.9972%0.722SS**  trans-56.7124-17600000113.6
57G34.5Very low41.9Very low68 Ų68132 Ų13270%0.70172%0.721SS**  trans-153.595.1167.300000108.2G55G55-G57 PolarHBondContact O-N 3.22Å
58Q39.7Very low42.7Very low173 Ų173128.8 Ų128.881%0.80870%0.702SS**  trans30.290.6164-63.6-177.83.700115.8D60Q58-D60 PolarHBondContact O-N 3.26Å; Q58-D60 VanDerWaalsContact O-N 3.12Å
59Q40.3Very low43.6Very low165 Ų165119.2 Ų119.277%0.77167%0.669SS**  trans-61.9112.7158.7-64.217813.700107.1L61Q59-L61 PolarHBondContact O-N 2.91Å; Q59-L61 VanDerWaalsContact O-N 3.08Å
60D41Very low44.1Very low89 Ų89116.4 Ų116.448%0.47666%0.657SS.*  trans-63.2110.1173.9-154.6-14000107.9Q58 F62 D63Q58-D60 PolarHBondContact O-N 3.26Å; Q58-D60 VanDerWaalsContact O-N 3.12Å; D60-F62 PolarHBondContact O-N 3.16Å; D60-D63 HydrophobicContact CB-CB 4.39Å; D60-D63 PolarHBondContact O-N 3.14Å; D60-D63 VanDerWaalsContact O-N 3.08Å
61L48.1Very low45.1Very low149 Ų149111 Ų11178%0.7863%0.632SS**THydrogen-bonded Turntrans-59.1-16.5-176.6-85151000112.2Q59Q59-L61 PolarHBondContact O-N 2.91Å; Q59-L61 VanDerWaalsContact O-N 3.08Å
62F39.8Very low45.6Very low165 Ų165117.4 Ų117.472%0.72465%0.653SS**THydrogen-bonded Turntrans-86.5-24.5178.4-67.3-82.6000114.1D60 Q65D60-F62 PolarHBondContact O-N 3.16Å; F62-Q65 WeakPolarHBondContact O-CB 3.39Å; F62-Q65 PolarHBondContact O-N 3.17Å
63D48.8Very low46.3Very low102 Ų102113.5 Ų113.555%0.54563%0.632SS.*G310 helixtrans-80.9-23.5-175.3-80.4-17.8000113.6D60 Q65 R67D60-D63 HydrophobicContact CB-CB 4.39Å; D60-D63 PolarHBondContact O-N 3.14Å; D60-D63 VanDerWaalsContact O-N 3.08Å; D63-Q65 PolarHBondContact O-N 3.45Å; D63-R67 VanDerWaalsContact O-CB 3.28Å; D63-R67 WeakPolarHBondContact O-CB 3.4Å
64N52.3Low47.2Very low82 Ų82110.8 Ų110.844%0.43963%0.632SS.*G310 helixtrans-73.1-12.4176.1-68.6-11.5000112.6
65Q51Low48.4Very low71 Ų71114.9 Ų114.933%0.33263%0.634SS.*G310 helixtrans-88.6-20.3-170-165.676.374.400111.7F62 D63 P82 M84F62-Q65 WeakPolarHBondContact O-CB 3.39Å; F62-Q65 PolarHBondContact O-N 3.17Å; D63-Q65 PolarHBondContact O-N 3.45Å; Q65-P82 WeakPolarHBondContact O-CB 3.28Å; Q65-M84 HydrophobicContact CB-CE 4.49Å; Q65-M84 HydrophobicContact CB-SD 4.37Å; Q65-M84 HydrophobicContact CG-CE 3.29Å; Q65-M84 HydrophobicContact CG-SD 3.36Å; Q65-M84 WeakPolarHBondContact CG-SD 3.44Å; Q65-M84 PolarHBondContact NE2-SD 2.88Å
66W49.9Very low49.9Very low196 Ų196113 Ų11374%0.74261%0.614SS**THydrogen-bonded Turntrans-124.6-2.1-178.8-63.979.6000114.1M84W66-M84 HydrophobicContact CZ2-CE 4.04Å
67R56.2Low50.5Low156 Ų156113.5 Ų113.559%0.58960%0.597SS**  trans-87.7117.1-174.4-166.517970.9-163.5-2.9111.6D63 G69D63-R67 VanDerWaalsContact O-CB 3.28Å; D63-R67 WeakPolarHBondContact O-CB 3.4Å; R67-G69 PolarHBondContact O-N 3.41Å
68F58.8Low51.6Low99 Ų99117.5 Ų117.543%0.43459%0.592SS.*  trans-66.8113.9163.2-81.8-91.8000109.5F70 I79 E81 P82F68-F70 HydrophobicContact CB-CE2 4Å; F68-I79 HydrophobicContact CD1-CG2 4.37Å; F68-E81 HydrophobicContact CE1-CG 4.4Å; F68-P82 HydrophobicContact CD2-CG 4.14Å; F68-P82 HydrophobicContact CE2-CG 4.02Å; F68-P82 HydrophobicContact CZ-CG 4.35Å
69G56.3Low52.6Low18 Ų18114.2 Ų114.219%0.18658%0.578CS.*EExtended strand (participates in β ladder)trans-96.6107.6178.200000111R67 I79 Q80R67-G69 PolarHBondContact O-N 3.41Å; G69-I79 CarbonylContact O-C 3.6Å; G69-Q80 PolarHBondContact N-O 3.14Å; G69-Q80 VanDerWaalsContact N-O 3.11Å; G69-Q80 PolarHBondContact O-N 3.44Å
70F51.1Low53.2Low145 Ų145112 Ų11264%0.63657%0.568SS**EExtended strand (participates in β ladder)trans-92.7118.9165.9-59.7-89.1000107.7F68 R78 I79F68-F70 HydrophobicContact CB-CE2 4Å; F70-R78 WeakPolarHBondContact CA-O 3.21Å; F70-I79 HydrophobicContact CD1-CB 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.3Å; F70-I79 HydrophobicContact CD1-CG1 3.75Å; F70-I79 HydrophobicContact CD1-CG2 4.32Å; F70-I79 HydrophobicContact CE1-CB 4.34Å; F70-I79 HydrophobicContact CE1-CD1 3.78Å; F70-I79 HydrophobicContact CE1-CG1 3.68Å; F70-I79 HydrophobicContact CE1-CG2 3.88Å; F70-I79 HydrophobicContact CZ-CG2 4.33Å
71S55.4Low53.9Low40 Ų40112.7 Ų112.728%0.2857%0.568SS.*EExtended strand (participates in β ladder)trans-117.6133.1164.847.50000110R78S71-R78 PolarHBondContact N-O 2.8Å; S71-R78 VanDerWaalsContact O-CG 3.27Å; S71-R78 WeakPolarHBondContact O-CG 3.3Å; S71-R78 PolarHBondContact O-N 3.34Å; S71-R78 WeakPolarHBondContact OG-CD 3.41Å; S71-R78 WeakPolarHBondContact OG-CG 3.33Å; S71-R78 PolarHBondContact OG-NE 2.82Å; S71-R78 PolarHBondContact OG-NH1 2.77Å
72M44.3Very low54.6Low171 Ų171106.1 Ų106.184%0.84254%0.535SS*.EExtended strand (participates in β ladder)trans-104.8111.9178.1-168.1164.5-172.600107.3V77M72-V77 HydrophobicContact CG-CG1 4.27Å; M72-V77 HydrophobicContact SD-CG1 4.42Å
73G59Low55.6Low38 Ų38106.1 Ų106.139%0.39254%0.537SS..EExtended strand (participates in β ladder)trans-119.2175.2175.700000110.9N75 G76G73-N75 PolarHBondContact O-N 3.03Å; G73-G76 PolarHBondContact N-O 2.83Å; G73-G76 PolarHBondContact O-N 3.22Å
74P59.9Low56.1Low141 Ų141103.8 Ų103.892%0.91652%0.523SS*.THydrogen-bonded Turntrans-56.9-12.4176.621.3-31.4000114
75N57.8Low56.5Low169 Ų169104.1 Ų104.190%0.90452%0.521SS*.THydrogen-bonded Turntrans-101.612.7177.2-63.2-4.9000113.9G73G73-N75 PolarHBondContact O-N 3.03Å
76G60.2Low56.9Low39 Ų39102.1 Ų102.140%0.40252%0.52SS..EExtended strand (participates in β ladder)trans102-171.9178.300000114.8G73G73-G76 PolarHBondContact N-O 2.83Å; G73-G76 PolarHBondContact O-N 3.22Å
77V56.3Low57.3Low107 Ų10798.8 Ų98.865%0.64851%0.513SS*.EExtended strand (participates in β ladder)trans-81121.2177.9-66.40000110.1M72M72-V77 HydrophobicContact CG-CG1 4.27Å; M72-V77 HydrophobicContact SD-CG1 4.42Å
78R56.9Low57.4Low153 Ų15397.4 Ų97.458%0.57751%0.511SS*.EExtended strand (participates in β ladder)trans-104.5127.2168.855.4177.3-85.6-123.36.8108.8F70 S71F70-R78 WeakPolarHBondContact CA-O 3.21Å; S71-R78 PolarHBondContact N-O 2.8Å; S71-R78 VanDerWaalsContact O-CG 3.27Å; S71-R78 WeakPolarHBondContact O-CG 3.3Å; S71-R78 PolarHBondContact O-N 3.34Å; S71-R78 WeakPolarHBondContact OG-CD 3.41Å; S71-R78 WeakPolarHBondContact OG-CG 3.33Å; S71-R78 PolarHBondContact OG-NE 2.82Å; S71-R78 PolarHBondContact OG-NH1 2.77Å
79I60.3Low57.4Low104 Ų10498.3 Ų98.353%0.53352%0.515SS..EExtended strand (participates in β ladder)trans-102.1119.9177.2-51.4178.6000106.7F68 G69 F70F68-I79 HydrophobicContact CD1-CG2 4.37Å; G69-I79 CarbonylContact O-C 3.6Å; F70-I79 HydrophobicContact CD1-CB 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.3Å; F70-I79 HydrophobicContact CD1-CG1 3.75Å; F70-I79 HydrophobicContact CD1-CG2 4.32Å; F70-I79 HydrophobicContact CE1-CB 4.34Å; F70-I79 HydrophobicContact CE1-CD1 3.78Å; F70-I79 HydrophobicContact CE1-CG1 3.68Å; F70-I79 HydrophobicContact CE1-CG2 3.88Å; F70-I79 HydrophobicContact CZ-CG2 4.33Å
80Q53.5Low57.7Low119 Ų119104.4 Ų104.456%0.55653%0.532SS*.EExtended strand (participates in β ladder)trans-95.8106.4171-168.8161.729.100107.7G69G69-Q80 PolarHBondContact N-O 3.14Å; G69-Q80 VanDerWaalsContact N-O 3.11Å; G69-Q80 PolarHBondContact O-N 3.44Å
81E55.9Low57.9Low102 Ų102102.5 Ų102.548%0.47753%0.525SS..  trans-79.5141.4176.1-173.3-179.3-167.900110.1F68 F85F68-E81 HydrophobicContact CE1-CG 4.4Å; E81-F85 HydrophobicContact CG-CB 3.89Å; E81-F85 HydrophobicContact CG-CG 4.36Å; E81-F85 VanDerWaalsContact OE1-CB 3.24Å; E81-F85 WeakPolarHBondContact OE1-CB 3.44Å; E81-F85 WeakPolarHBondContact OE1-CD1 3.04Å; E81-F85 WeakPolarHBondContact OE1-CG 3.38Å
82P63.6Low58.1Low11 Ų11105.7 Ų105.77%0.07154%0.537CS..  trans-69.5141.2179-10.724.6000112.5Q65 F68 M84 F85Q65-P82 WeakPolarHBondContact O-CB 3.28Å; F68-P82 HydrophobicContact CD2-CG 4.14Å; F68-P82 HydrophobicContact CE2-CG 4.02Å; F68-P82 HydrophobicContact CZ-CG 4.35Å; P82-M84 HydrophobicContact CB-CG 4.28Å; P82-M84 PolarHBondContact O-N 3.03Å; P82-F85 WeakPolarHBondContact O-CB 3.36Å; P82-F85 PolarHBondContact O-N 3.04Å
83E60.9Low58.7Low165 Ų165103.3 Ų103.377%0.77152%0.524SS*.THydrogen-bonded Turntrans-59.2-24.7-172.9-69.2-179.6160.500114.8F85E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.13Å
84M58.8Low58.7Low53 Ų53106.7 Ų106.726%0.26153%0.532SS..THydrogen-bonded Turntrans-68.4-24.9175.718.2-81.2-80.600113.9Q65 W66 P82 G86 Q87 F88Q65-M84 HydrophobicContact CB-CE 4.49Å; Q65-M84 HydrophobicContact CB-SD 4.37Å; Q65-M84 HydrophobicContact CG-CE 3.29Å; Q65-M84 HydrophobicContact CG-SD 3.36Å; Q65-M84 WeakPolarHBondContact CG-SD 3.44Å; Q65-M84 PolarHBondContact NE2-SD 2.88Å; W66-M84 HydrophobicContact CZ2-CE 4.04Å; P82-M84 HydrophobicContact CB-CG 4.28Å; P82-M84 PolarHBondContact O-N 3.03Å; M84-G86 PolarHBondContact O-N 2.74Å; M84-Q87 WeakPolarHBondContact O-CA 3.06Å; M84-Q87 WeakPolarHBondContact O-CB 3.48Å; M84-Q87 PolarHBondContact O-N 3.19Å; M84-F88 PolarHBondContact O-N 2.94Å; M84-F88 VanDerWaalsContact O-N 3.12Å
85F59.3Low58.4Low89 Ų89106.9 Ų106.939%0.3952%0.519SS..Hα-helixtrans-66.5-32.4-177.2-134.4-90.5000110.5E81 P82 E83 Q87 F88 F89E81-F85 HydrophobicContact CG-CB 3.89Å; E81-F85 HydrophobicContact CG-CG 4.36Å; E81-F85 VanDerWaalsContact OE1-CB 3.24Å; E81-F85 WeakPolarHBondContact OE1-CB 3.44Å; E81-F85 WeakPolarHBondContact OE1-CD1 3.04Å; E81-F85 WeakPolarHBondContact OE1-CG 3.38Å; P82-F85 WeakPolarHBondContact O-CB 3.36Å; P82-F85 PolarHBondContact O-N 3.04Å; E83-F85 VanDerWaalsContact C-N 3.3Å; E83-F85 PolarHBondContact O-N 3.13Å; F85-Q87 PolarHBondContact O-N 2.89Å; F85-F88 PolarHBondContact O-N 3.27Å; F85-F89 HydrophobicContact CD1-CD2 4Å; F85-F89 AromaticContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CZ 4.01Å; F85-F89 AromaticContact CE1-CE2 3.71Å; F85-F89 HydrophobicContact CE1-CE2 3.71Å; F85-F89 AromaticContact CE1-CZ 3.84Å; F85-F89 HydrophobicContact CE1-CZ 3.84Å; F85-F89 WeakPolarHBondContact O-CD2 3.39Å; F85-F89 PolarHBondContact O-N 2.89Å; F85-F89 VanDerWaalsContact O-N 3.14Å
86G60.4Low58.2Low30 Ų30102.8 Ų102.831%0.30950%0.503SS..Hα-helixtrans-64.2-23.5169.200000114.2M84 R90M84-G86 PolarHBondContact O-N 2.74Å; G86-R90 VanDerWaalsContact O-CG 3.32Å; G86-R90 WeakPolarHBondContact O-CG 2.81Å; G86-R90 PolarHBondContact O-N 3.14Å; G86-R90 PolarHBondContact O-NH1 3.12Å
87Q58.7Low57.7Low126 Ų126107.3 Ų107.359%0.58951%0.514SS*.Hα-helixtrans-83.2-34.1176.3-159.6162.77.600111.9M84 F85 R90 E91M84-Q87 WeakPolarHBondContact O-CA 3.06Å; M84-Q87 WeakPolarHBondContact O-CB 3.48Å; M84-Q87 PolarHBondContact O-N 3.19Å; F85-Q87 PolarHBondContact O-N 2.89Å; Q87-R90 PolarHBondContact O-N 3.24Å; Q87-E91 PolarHBondContact O-N 2.78Å
88F57.2Low57.1Low127 Ų127108.2 Ų108.256%0.55752%0.515SS*.Hα-helixtrans-64.6-40.5172.8-129.8-88.2000112.1M84 F85 E91 M92M84-F88 PolarHBondContact O-N 2.94Å; M84-F88 VanDerWaalsContact O-N 3.12Å; F85-F88 PolarHBondContact O-N 3.27Å; F88-E91 PolarHBondContact O-N 2.91Å; F88-M92 HydrophobicContact CD1-CE 4.04Å; F88-M92 HydrophobicContact CE1-CE 4.33Å; F88-M92 PolarHBondContact O-N 2.86Å
89F59.8Low56.8Low118 Ų118104.2 Ų104.252%0.51852%0.52SS..Hα-helixtrans-68.3-37.1173.8-74.4-61000112.9F85 E91 M92 E93F85-F89 HydrophobicContact CD1-CD2 4Å; F85-F89 AromaticContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CE2 3.38Å; F85-F89 HydrophobicContact CD1-CZ 4.01Å; F85-F89 AromaticContact CE1-CE2 3.71Å; F85-F89 HydrophobicContact CE1-CE2 3.71Å; F85-F89 AromaticContact CE1-CZ 3.84Å; F85-F89 HydrophobicContact CE1-CZ 3.84Å; F85-F89 WeakPolarHBondContact O-CD2 3.39Å; F85-F89 PolarHBondContact O-N 2.89Å; F85-F89 VanDerWaalsContact O-N 3.14Å; F89-E91 VanDerWaalsContact C-N 3.26Å; F89-E91 PolarHBondContact O-N 2.76Å; F89-M92 PolarHBondContact O-N 2.79Å; F89-E93 PolarHBondContact O-N 3.47Å
90R61.4Low56.3Low146 Ų146109.2 Ų109.255%0.55153%0.533SS*.Hα-helixtrans-63.5-32.6171-76.5-170-59.6-97.55.5112.2G86 Q87 E93 I94G86-R90 VanDerWaalsContact O-CG 3.32Å; G86-R90 WeakPolarHBondContact O-CG 2.81Å; G86-R90 PolarHBondContact O-N 3.14Å; G86-R90 PolarHBondContact O-NH1 3.12Å; Q87-R90 PolarHBondContact O-N 3.24Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.45Å; R90-E93 PolarHBondContact O-N 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.37Å
91E57.2Low55.6Low105 Ų105113.3 Ų113.349%0.49154%0.544SS..Hα-helixtrans-72.2-38.5175.8-165.8171.6178.500112.1Q87 F88 F89 E93 I94 F95Q87-E91 PolarHBondContact O-N 2.78Å; F88-E91 PolarHBondContact O-N 2.91Å; F89-E91 VanDerWaalsContact C-N 3.26Å; F89-E91 PolarHBondContact O-N 2.76Å; E91-E93 PolarHBondContact O-N 2.9Å; E91-I94 HydrophobicContact CB-CD1 4.34Å; E91-I94 HydrophobicContact CG-CD1 3.9Å; E91-I94 VanDerWaalsContact O-CB 3.31Å; E91-I94 WeakPolarHBondContact O-CB 3.42Å; E91-I94 VanDerWaalsContact O-CG1 3.25Å; E91-I94 WeakPolarHBondContact O-CG1 3.33Å; E91-I94 PolarHBondContact O-N 3.34Å; E91-I94 VanDerWaalsContact O-N 3.12Å; E91-F95 WeakPolarHBondContact O-CD2 2.98Å
92M59.3Low54.8Low106 Ų106116.4 Ų116.452%0.52256%0.564SS.*Hα-helixtrans-65.9-24.1170.1-68.2-164.2-161.600113.3F88 F89 I94 F95 S96F88-M92 HydrophobicContact CD1-CE 4.04Å; F88-M92 HydrophobicContact CE1-CE 4.33Å; F88-M92 PolarHBondContact O-N 2.86Å; F89-M92 PolarHBondContact O-N 2.79Å; M92-I94 VanDerWaalsContact C-N 3.28Å; M92-I94 PolarHBondContact O-N 3.11Å; M92-F95 WeakPolarHBondContact O-CB 3.35Å; M92-F95 PolarHBondContact O-N 3.43Å; M92-S96 PolarHBondContact O-N 3.11Å; M92-S96 PolarHBondContact O-OG 2.99Å
93E56.6Low53.4Low122 Ų122118.3 Ų118.357%0.5759%0.586SS**Hα-helixtrans-66.5-29.5171.9-164.6173.2-177.400112.1F89 R90 E91 F95 S96 Q97F89-E93 PolarHBondContact O-N 3.47Å; R90-E93 VanDerWaalsContact O-CB 3.31Å; R90-E93 WeakPolarHBondContact O-CB 3.45Å; R90-E93 PolarHBondContact O-N 3.3Å; E91-E93 PolarHBondContact O-N 2.9Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.19Å; E93-S96 WeakPolarHBondContact O-CA 3.44Å; E93-S96 WeakPolarHBondContact O-CB 3.4Å; E93-S96 PolarHBondContact O-N 3.49Å; E93-Q97 PolarHBondContact O-N 3.38Å
94I58.3Low52.5Low109 Ų109119 Ų11956%0.55959%0.589SS**Hα-helixtrans-64.9-36.9174.3-38.4169.4000110.3R90 E91 M92 S96 Q97R90-I94 WeakPolarHBondContact O-CG1 3.37Å; E91-I94 HydrophobicContact CB-CD1 4.34Å; E91-I94 HydrophobicContact CG-CD1 3.9Å; E91-I94 VanDerWaalsContact O-CB 3.31Å; E91-I94 WeakPolarHBondContact O-CB 3.42Å; E91-I94 VanDerWaalsContact O-CG1 3.25Å; E91-I94 WeakPolarHBondContact O-CG1 3.33Å; E91-I94 PolarHBondContact O-N 3.34Å; E91-I94 VanDerWaalsContact O-N 3.12Å; M92-I94 VanDerWaalsContact C-N 3.28Å; M92-I94 PolarHBondContact O-N 3.11Å; I94-S96 PolarHBondContact O-N 3.35Å; I94-Q97 PolarHBondContact O-N 2.95Å
95F53.8Low51.1Low144 Ų144126.8 Ų126.863%0.63262%0.622SS**Hα-helixtrans-70-21173.5-71.2-86.4000112.9E91 M92 E93 Q97 L98E91-F95 WeakPolarHBondContact O-CD2 2.98Å; M92-F95 WeakPolarHBondContact O-CB 3.35Å; M92-F95 PolarHBondContact O-N 3.43Å; E93-F95 VanDerWaalsContact C-N 3.29Å; E93-F95 PolarHBondContact O-N 3.19Å; F95-Q97 VanDerWaalsContact C-N 3.27Å; F95-Q97 PolarHBondContact O-N 3.46Å; F95-L98 PolarHBondContact O-N 3.42Å
96S54.4Low49.9Very low83 Ų83126 Ų12658%0.5864%0.639SS**Hα-helixtrans-73.5-20.8174.3-52.50000112.3M92 E93 I94M92-S96 PolarHBondContact O-N 3.11Å; M92-S96 PolarHBondContact O-OG 2.99Å; E93-S96 WeakPolarHBondContact O-CA 3.44Å; E93-S96 WeakPolarHBondContact O-CB 3.4Å; E93-S96 PolarHBondContact O-N 3.49Å; I94-S96 PolarHBondContact O-N 3.35Å
97Q49.8Very low48.9Very low135 Ų135132.1 Ų132.163%0.63167%0.67SS**Hα-helixtrans-81.2-22.1171.3-86.6169.34300113.4E93 I94 F95 G99 R100E93-Q97 PolarHBondContact O-N 3.38Å; I94-Q97 PolarHBondContact O-N 2.95Å; F95-Q97 VanDerWaalsContact C-N 3.27Å; F95-Q97 PolarHBondContact O-N 3.46Å; Q97-G99 PolarHBondContact O-N 2.83Å; Q97-R100 PolarHBondContact O-N 3.35Å
98L44Very low47.7Very low126 Ų126129.1 Ų129.166%0.6667%0.673SS**THydrogen-bonded Turntrans-73.9-13.4177-163.760.9000112.9F95 R100F95-L98 PolarHBondContact O-N 3.42Å; L98-R100 PolarHBondContact O-N 2.75Å
99G49.5Very low46.9Very low68 Ų68132.6 Ų132.670%0.70169%0.691SS**THydrogen-bonded Turntrans-787.1172.200000115.4Q97Q97-G99 PolarHBondContact O-N 2.83Å
100R49.2Very low45.6Very low209 Ų209136.8 Ų136.879%0.78971%0.709SS**  trans-103.232.7-175.3-64.6-158.8-179.8-1273.3115.2Q97 L98Q97-R100 PolarHBondContact O-N 3.35Å; L98-R100 PolarHBondContact O-N 2.75Å
101Y40.7Very low44.3Very low205 Ų205132.9 Ų132.980%0.80472%0.715SS**  trans-132.885.2167.2-61.3-82.4000110.1
102D37.4Very low43.2Very low167 Ų167134.9 Ų134.989%0.89373%0.733SS**  -163.3139.3121.9-155.95.4000110.5
103G34.4Very low42.2Very low52 Ų52136 Ų13654%0.53675%0.747SS.*  trans-79.2140.4-176.500000112.8
104Q41.4Very low41Very low179 Ų179135.7 Ų135.784%0.83676%0.758SS**  85.469.7125.9-151.5143.930.300118.4
105F30.8Very low40Very low217 Ų217138.6 Ų138.695%0.95277%0.773SS**  trans-139.2137.5141.6-73-77.1000110.5
106G33.2Very low39.3Very low72 Ų72140.2 Ų140.274%0.74278%0.782SS**  trans-76.3157.1-163.600000116.7
107V40.9Very low38.6Very low159 Ų159140.2 Ų140.296%0.96479%0.788SS**  trans4996.5150-157.40000117.2
108G33.3Very low38.1Very low62 Ų62140.1 Ų140.164%0.63980%0.798SS**  trans-174.9102.7165.300000111.4F110G108-F110 PolarHBondContact O-N 2.75Å
109Q39.3Very low37.6Very low200 Ų200141.9 Ų141.994%0.93581%0.808SS**  trans-72.5104.9-172.4-172.8165.60.700111.9
110F32Very low37Very low206 Ų206143.5 Ų143.590%0.90481%0.808SS**  trans-9793.5165.3-78.9-84.8000109.4G108G108-F110 PolarHBondContact O-N 2.75Å
111G34.3Very low36.4Very low65 Ų65142.3 Ų142.367%0.6781%0.811SS**  trans-85.6119.9169.400000110.2T113G111-T113 PolarHBondContact O-N 2.83Å
112V35.6Very low35.9Very low146 Ų146139.3 Ų139.389%0.88581%0.809SS**  trans-75.6117.4168-170.60000107.2S114V112-S114 PolarHBondContact O-N 3.5Å
113T36.4Very low35.7Very low131 Ų131141.7 Ų141.780%0.80481%0.806SS**  trans-78.3109.8177.136.70000110.2G111G111-T113 PolarHBondContact O-N 2.83Å
114S32.8Very low35.7Very low114 Ų114144.7 Ų144.780%0.79782%0.819SS**  trans-65.9131.7164.8-1730000109.5V112 E116V112-S114 PolarHBondContact O-N 3.5Å; S114-E116 PolarHBondContact O-N 3.44Å
115I37.5Very low35.7Very low170 Ų170145 Ų14587%0.87282%0.82SS**  trans-75.3101.5177.4-69.9159.8000108.3
116E38.2Very low35.8Very low178 Ų178144.8 Ų144.883%0.83282%0.819SS**PPolyproline II helixtrans-86.4127.1165.4-173.8169.5174.500108.8S114S114-E116 PolarHBondContact O-N 3.44Å
117A40.5Very low35.7Very low84 Ų84144.9 Ų144.969%0.69482%0.82SS**PPolyproline II helixtrans-74.3134177.200000110.3L119A117-L119 PolarHBondContact O-N 3.13Å
118P39.2Very low35.8Very low132 Ų132141.7 Ų141.786%0.85782%0.819SS**PPolyproline II helixtrans-79.4125.9-177.729.3-31.1000112.1
119L32.1Very low35.9Very low164 Ų164142 Ų14286%0.85982%0.823SS**PPolyproline II helixtrans-63.2144.3165.4-79.5154.6000111.5A117A117-L119 PolarHBondContact O-N 3.13Å
120S38.3Very low36.3Very low101 Ų101136.5 Ų136.571%0.70682%0.819SS**PPolyproline II helixtrans-66134.1176.147.80000113.9
121Q35.6Very low36.9Very low184 Ų184132.2 Ų132.286%0.8682%0.815SS**  trans63107.9131.2-166.1172.1-17.600118.6
122D31.1Very low37.8Very low142 Ų142133.9 Ų133.976%0.75982%0.816SS**  -171.1148.6108.2-167.322.8000111.5
123R31.8Very low39Very low217 Ų217130.4 Ų130.482%0.81981%0.809SS**  trans84.693.3152.3-148.5173.1-171.5158.31.9119.6
124S36Very low40.4Very low115 Ų115127.4 Ų127.480%0.80479%0.789SS**  172.6134.293.1-164.30000110.7
125E41.7Very low42.3Very low185 Ų185124.8 Ų124.886%0.86477%0.771SS**  trans-69.4155.5-179-55.7164.4133.800112.1
126K33Very low43.7Very low214 Ų214123.4 Ų123.493%0.9376%0.764SS**  trans122.8107.2140.2-160.3172.5-173.7177.20115.3
127G29.8Very low45.3Very low74 Ų74123.9 Ų123.976%0.76376%0.758SS**  trans145.987.8157.200000113.3
128G42.3Very low46.6Very low91 Ų91123.3 Ų123.394%0.93874%0.743SS**  trans-63.513717300000112.3
129G35.5Very low47.8Very low70 Ų70123 Ų12372%0.72273%0.729SS**  trans-171.6106168.700000107.4S131G129-S131 PolarHBondContact O-N 3.14Å
130G47.8Very low49.7Very low83 Ų83122.5 Ų122.586%0.85672%0.724SS**  trans-52.1108.4-171.600000112.4S132G130-S132 PolarHBondContact O-N 3.3Å; G130-S132 VanDerWaalsContact O-N 3.1Å
131S45.5Very low51.2Low117 Ų117123.6 Ų123.682%0.81872%0.721SS**  trans-74.298165.2-171.20000106.5G129 G133G129-S131 PolarHBondContact O-N 3.14Å; S131-G133 PolarHBondContact O-N 3.16Å
132S53.9Low53Low99 Ų99120.5 Ų120.569%0.69271%0.705SS**  trans-51.7109.8174.152.20000108.4G130 N134G130-S132 PolarHBondContact O-N 3.3Å; G130-S132 VanDerWaalsContact O-N 3.1Å; S132-N134 PolarHBondContact O-N 3.49Å; S132-N134 PolarHBondContact O-OD1 3.27Å; S132-N134 VanDerWaalsContact O-OD1 3.13Å
133G60.3Low54.6Low73 Ų73115.5 Ų115.575%0.75369%0.687SS**  trans-73.4112.4-175.200000111S131S131-G133 PolarHBondContact O-N 3.16Å
134N65Low55.8Low68 Ų68111.1 Ų111.136%0.36469%0.686SS.*  trans-145.697.3155.127.7-21.6000105.6S132 D138 F139S132-N134 PolarHBondContact O-N 3.49Å; S132-N134 PolarHBondContact O-OD1 3.27Å; S132-N134 VanDerWaalsContact O-OD1 3.13Å; N134-D138 HydrophobicContact CB-CB 4.24Å; N134-F139 HydrophobicContact CB-CD2 4.12Å; N134-F139 HydrophobicContact CB-CE2 4.02Å; N134-F139 WeakPolarHBondContact ND2-CE2 3.14Å; N134-F139 WeakPolarHBondContact ND2-CZ 3.45Å
135S72.9Confident56.5Low60 Ų60112.5 Ų112.542%0.4269%0.685SS.*  trans-62.2156.9168.966.50000108.6R137 D138 F139S135-R137 PolarHBondContact O-N 3.31Å; S135-R137 WeakPolarHBondContact OG-CB 3.41Å; S135-D138 PolarHBondContact N-OD2 2.93Å; S135-D138 WeakPolarHBondContact O-CA 3.36Å; S135-D138 WeakPolarHBondContact O-CB 3.49Å; S135-D138 PolarHBondContact O-N 2.79Å; S135-D138 PolarHBondContact OG-N 3.45Å; S135-D138 PolarHBondContact OG-OD2 3.33Å; S135-F139 PolarHBondContact O-N 3.48Å
136L66.6Low57.2Low141 Ų141108.8 Ų108.874%0.73867%0.671SS**Hα-helixtrans-51.2-32.5174.9-178.264.4000111.7D138 F139 M140L136-D138 VanDerWaalsContact C-N 3.35Å; L136-D138 PolarHBondContact O-N 3.01Å; L136-F139 PolarHBondContact O-N 3.25Å; L136-M140 WeakPolarHBondContact O-CG 3.27Å; L136-M140 PolarHBondContact O-N 3.28Å; L136-M140 VanDerWaalsContact O-N 3.16Å
137R72.6Confident57.9Low188 Ų188102.9 Ų102.971%0.70966%0.655SS**Hα-helixtrans-59-41.7173.1-165.1-174-171.1-1733112.5S135 F139 M140 L141S135-R137 PolarHBondContact O-N 3.31Å; S135-R137 WeakPolarHBondContact OG-CB 3.41Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.47Å; R137-M140 PolarHBondContact O-N 2.9Å; R137-L141 HydrophobicContact CG-CD1 3.94Å; R137-L141 WeakPolarHBondContact O-CB 3.44Å; R137-L141 VanDerWaalsContact O-CG 3.22Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.79Å; R137-L141 VanDerWaalsContact O-N 3.14Å
138D67.2Low58.7Low71 Ų71105.8 Ų105.838%0.3866%0.661SS.*Hα-helixtrans-70.5-30.3179.3-61.8-43.6000112.3N134 S135 L136 L141 K142N134-D138 HydrophobicContact CB-CB 4.24Å; S135-D138 PolarHBondContact N-OD2 2.93Å; S135-D138 WeakPolarHBondContact O-CA 3.36Å; S135-D138 WeakPolarHBondContact O-CB 3.49Å; S135-D138 PolarHBondContact O-N 2.79Å; S135-D138 PolarHBondContact OG-N 3.45Å; S135-D138 PolarHBondContact OG-OD2 3.33Å; L136-D138 VanDerWaalsContact C-N 3.35Å; L136-D138 PolarHBondContact O-N 3.01Å; D138-L141 PolarHBondContact O-N 3.26Å; D138-K142 WeakPolarHBondContact O-CG 2.97Å; D138-K142 PolarHBondContact O-N 2.75Å
139F65.6Low58.4Low127 Ų127106.8 Ų106.856%0.55765%0.652SS**Hα-helixtrans-69.3-35.9172.9-96.2-79.2000112.6N134 S135 L136 R137 L141N134-F139 HydrophobicContact CB-CD2 4.12Å; N134-F139 HydrophobicContact CB-CE2 4.02Å; N134-F139 WeakPolarHBondContact ND2-CE2 3.14Å; N134-F139 WeakPolarHBondContact ND2-CZ 3.45Å; S135-F139 PolarHBondContact O-N 3.48Å; L136-F139 PolarHBondContact O-N 3.25Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-F139 PolarHBondContact O-N 3.47Å; F139-L141 VanDerWaalsContact C-N 3.28Å
140M71.9Confident58.2Low153 Ų153106.8 Ų106.875%0.75465%0.652SS**Hα-helixtrans-74.9-19.5177.2-67.8-178.465.200113.1L136 R137L136-M140 WeakPolarHBondContact O-CG 3.27Å; L136-M140 PolarHBondContact O-N 3.28Å; L136-M140 VanDerWaalsContact O-N 3.16Å; R137-M140 PolarHBondContact O-N 2.9Å
141L69Low57.6Low124 Ų124108 Ų10865%0.64965%0.648SS**THydrogen-bonded Turntrans-98-2.1-179-67.5173.1000113.9R137 D138 F139 G143R137-L141 HydrophobicContact CG-CD1 3.94Å; R137-L141 WeakPolarHBondContact O-CB 3.44Å; R137-L141 VanDerWaalsContact O-CG 3.22Å; R137-L141 WeakPolarHBondContact O-CG 3.38Å; R137-L141 PolarHBondContact O-N 2.79Å; R137-L141 VanDerWaalsContact O-N 3.14Å; D138-L141 PolarHBondContact O-N 3.26Å; F139-L141 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.78Å
142K74.4Confident56.9Low119 Ų119109 Ų10952%0.51765%0.649SS.*  trans-74.2119174.7-81.5-178.5-177.7-156.40110.9D138D138-K142 WeakPolarHBondContact O-CG 2.97Å; D138-K142 PolarHBondContact O-N 2.75Å
143G64.6Low55.7Low36 Ų36107.9 Ų107.937%0.37165%0.653SS.*  trans-78.7164.7170.500000111.3L141 N145 D146L141-G143 PolarHBondContact O-N 2.78Å; G143-N145 PolarHBondContact O-N 2.76Å; G143-D146 PolarHBondContact N-OD2 3.33Å; G143-D146 PolarHBondContact O-N 3.35Å
144P55.7Low54.4Low125 Ų125112.5 Ų112.581%0.81266%0.66SS**THydrogen-bonded Turntrans-62.6-0.7178.424.2-32.8000114.9
145N51.6Low53.6Low145 Ų145114.5 Ų114.578%0.77568%0.676SS**THydrogen-bonded Turntrans-107.2-0.8-175.9-61.5-32.3000114G143 C147G143-N145 PolarHBondContact O-N 2.76Å; N145-C147 VanDerWaalsContact C-N 3.31Å; N145-C147 PolarHBondContact O-N 2.77Å; N145-C147 VanDerWaalsContact O-N 3.11Å
146D57Low51.6Low106 Ų106117.2 Ų117.257%0.56770%0.695SS**  trans-89.667.1178.9-63.3-40.2000111.2G143G143-D146 PolarHBondContact N-OD2 3.33Å; G143-D146 PolarHBondContact O-N 3.35Å
147C45.8Very low49.7Very low90 Ų90114.1 Ų114.161%0.60870%0.697SS**  trans-91.7126.7169.6-63.50000110.5N145 C149N145-C147 VanDerWaalsContact C-N 3.31Å; N145-C147 PolarHBondContact O-N 2.77Å; N145-C147 VanDerWaalsContact O-N 3.11Å; C147-C149 VanDerWaalsContact C-N 3.3Å; C147-C149 PolarHBondContact O-N 3.39Å
148P47.3Very low48.3Very low135 Ų135111.3 Ų111.388%0.87770%0.704SS**  trans-81.979.6173.332.5-29.6000109.5
149C37Very low46.9Very low113 Ų113113.4 Ų113.476%0.76472%0.724SS**  trans-99.192170.7-50.20000108.8C147C147-C149 VanDerWaalsContact C-N 3.3Å; C147-C149 PolarHBondContact O-N 3.39Å
150G31Very low45.3Very low70 Ų70116.8 Ų116.872%0.72274%0.741SS**  trans-66.6128.8171.600000112.5
151S34.4Very low43.2Very low109 Ų109113 Ų11376%0.76274%0.741SS**  trans47.612014872.10000121.1
152T31.7Very low42.1Very low136 Ų136112.4 Ų112.483%0.83475%0.745SS**  137.9114.8113.2-47.80000114
153G27.9Very low40.3Very low76 Ų76117.8 Ų117.878%0.78476%0.762SS**  trans84116.313800000121.2
154L33.6Very low38.8Very low171 Ų171122.1 Ų122.190%0.89578%0.781SS**  trans-92170.6151.7-91.5155.8000109.2
155P48Very low38Very low109 Ų109123 Ų12371%0.70878%0.779SS**  cis-150.7-176.128.237.7-13000119.2
156S30.3Very low37.2Very low117 Ų117126.1 Ų126.182%0.81879%0.786SS**  trans99.1127.4145.8-57.30000122.6
157G26.4Very low36.7Very low76 Ų76128.8 Ų128.878%0.78480%0.8SS**  trans-90.4-150172.100000114.5
158P44.7Very low37.3Very low130 Ų130129.8 Ų129.884%0.84481%0.805SS**  cis-138.9169.4-5.542.4-23.2000118
159S37.8Very low37.1Very low114 Ų114128.8 Ų128.880%0.79780%0.799SS**  trans41124.3139.3175.10000125.1
160E30.7Very low37.4Very low198 Ų198129.4 Ų129.493%0.92580%0.804SS**  trans-165.1136.2136.2-113.4177.4159.700113.2
161G28.9Very low37.4Very low73 Ų73129.9 Ų129.975%0.75381%0.809SS**  trans-97-149.6-178.300000114.6
162P45.6Very low37.4Very low113 Ų113128 Ų12873%0.73481%0.808SS**  cis-144.4173.2-11.644.4-24.8000117.4
163R35.9Very low37.7Very low231 Ų231126.9 Ų126.987%0.87280%0.803SS**  trans78.2123.4153.4-44.9-174.2179.1164.5-1.8122.4
164V33Very low38.5Very low127 Ų127129.3 Ų129.377%0.7781%0.806SS**  169.4119.995.8167.10000111.6
165D38.8Very low38.6Very low145 Ų145129.8 Ų129.878%0.77580%0.801SS**  trans-5.4132.8159.7-45.9-39.9000122.1
166K36.1Very low38.3Very low209 Ų209130 Ų13091%0.90980%0.803SS**  -161.5104.6125.2-69.9-153.7179.7174.20112.4
167N44.7Very low38.9Very low162 Ų162131.3 Ų131.387%0.86680%0.801SS**  trans35153.7149.2-75.5-17.5000124.8
168P59.3Low39.8Very low111 Ų111131.8 Ų131.872%0.72179%0.789SS**  trans-99.5172.5-153.940.2-33.8000115
169P44.1Very low40Very low115 Ų115131 Ų13175%0.74778%0.783SS**  -148.4139.2116.634.5-16.2000116.7
170S42.4Very low40.6Very low125 Ų125133 Ų13387%0.87478%0.778SS**  trans29.6117.8131.3-47.60000121.2
171G31.6Very low41.6Very low80 Ų80128.8 Ų128.883%0.82576%0.762SS**  trans133.8113.413300000117.7
172G34Very low42.7Very low71 Ų71135.6 Ų135.673%0.73277%0.766SS**SBendtrans81.8155.1154.500000116.9
173P38.9Very low43Very low112 Ų112140.1 Ų140.173%0.72777%0.769SS**  trans-74.2136.3-141.129.6-34.9000114.2F175P173-F175 PolarHBondContact O-N 2.97Å
174C42.8Very low44.1Very low127 Ų127133.4 Ų133.486%0.85875%0.753SS**  trans-58.6115.3171.6-64.40000111.2
175F36.2Very low45.2Very low180 Ų180131.4 Ų131.479%0.78974%0.743SS**  trans-88.4132.8150.8-64.9-79.5000107.4P173 N177P173-F175 PolarHBondContact O-N 2.97Å; F175-N177 PolarHBondContact O-N 3.42Å
176P41.7Very low45.9Very low113 Ų113131.5 Ų131.573%0.73474%0.737SS**  trans-61.1131.4-176.724.6-32.8000110.4T178P176-T178 PolarHBondContact O-N 2.94Å; P176-T178 VanDerWaalsContact O-N 3.14Å
177N43.7Very low46.9Very low146 Ų146125 Ų12578%0.78172%0.718SS**  trans-44.1115.3179.1-58.9-45.3000111.4F175F175-N177 PolarHBondContact O-N 3.42Å
178T44.9Very low47.4Very low86 Ų86126.7 Ų126.753%0.52872%0.718SS.*  trans-86.3146.4165.358.40000108.2P176 F180P176-T178 PolarHBondContact O-N 2.94Å; P176-T178 VanDerWaalsContact O-N 3.14Å; T178-F180 PolarHBondContact O-N 3.03Å
179P49.9Very low47.1Very low112 Ų112127.5 Ų127.573%0.72771%0.71SS**THydrogen-bonded Turntrans-71.421.1-174.728.5-33.8000114.7
180F48.8Very low47.7Very low156 Ų156125.4 Ų125.468%0.68469%0.692SS**THydrogen-bonded Turntrans-112.219.3-173.7-65.8-75.8000114.1T178 Y182 W183T178-F180 PolarHBondContact O-N 3.03Å; F180-Y182 PolarHBondContact O-N 3.31Å; F180-W183 PolarHBondContact O-N 2.98Å
181D51.5Low48.2Very low110 Ų110125.1 Ų125.159%0.58868%0.681SS**THydrogen-bonded Turntrans-64.2-5.3-177.8-70.8-30000115.4
182Y53Low49.4Very low216 Ų216124.9 Ų124.985%0.84767%0.667SS**THydrogen-bonded Turntrans-102.8-6.3-178.8-46.8-77000114.2F180F180-Y182 PolarHBondContact O-N 3.31Å
183W52.4Low50.4Low209 Ų209129.2 Ų129.279%0.79266%0.661SS**  trans-120.381.4177.6-165.9-75.8000110.2F180 P185F180-W183 PolarHBondContact O-N 2.98Å; W183-P185 WeakPolarHBondContact O-CD 3.22Å
184T58.6Low51.1Low89 Ų89131 Ų13155%0.54665%0.653SS.*  trans-83.1104.9157.716.80000108.3F186 S187T184-F186 PolarHBondContact O-N 3.1Å; T184-S187 PolarHBondContact O-N 3Å
185P56Low51.5Low85 Ų85127.6 Ų127.655%0.55264%0.64SS**THydrogen-bonded Turntrans-64.4-9.5-177.924.9-29.7000112.8W183W183-P185 WeakPolarHBondContact O-CD 3.22Å
186F52.7Low52.2Low147 Ų147129.1 Ų129.165%0.64564%0.64SS**THydrogen-bonded Turntrans-127.931.7-178.5-53.8-68.7000113.5T184 K188 F189T184-F186 PolarHBondContact O-N 3.1Å; F186-K188 PolarHBondContact O-N 3.13Å; F186-K188 VanDerWaalsContact O-N 3.14Å; F186-F189 HydrophobicContact CB-CB 4.05Å; F186-F189 WeakPolarHBondContact O-CB 3.48Å; F186-F189 PolarHBondContact O-N 3.13Å
187S56.7Low52.7Low73 Ų73130.8 Ų130.851%0.5164%0.642SS.*THydrogen-bonded Turntrans-56.8-31.7178.6-167.80000113T184 F189T184-S187 PolarHBondContact O-N 3Å; S187-F189 VanDerWaalsContact C-N 3.26Å; S187-F189 PolarHBondContact O-N 3.15Å
188K56Low53.2Low198 Ų198132.4 Ų132.486%0.86165%0.645SS**THydrogen-bonded Turntrans-72.1-15.8176-65.6-176.5178.6-179.40114.1F186F186-K188 PolarHBondContact O-N 3.13Å; F186-K188 VanDerWaalsContact O-N 3.14Å
189F53.4Low53.3Low127 Ų127138.3 Ų138.356%0.55766%0.658SS**THydrogen-bonded Turntrans-86.4-23.9-177.2-143.2-101.5000112.1F186 S187 D191 S192 W193F186-F189 HydrophobicContact CB-CB 4.05Å; F186-F189 WeakPolarHBondContact O-CB 3.48Å; F186-F189 PolarHBondContact O-N 3.13Å; S187-F189 VanDerWaalsContact C-N 3.26Å; S187-F189 PolarHBondContact O-N 3.15Å; F189-D191 VanDerWaalsContact C-N 3.35Å; F189-D191 PolarHBondContact O-N 2.82Å; F189-S192 PolarHBondContact O-OG 3.48Å; F189-W193 AromaticContact CD1-NE1 3.42Å; F189-W193 HydrophobicContact CE1-CZ2 4.4Å; F189-W193 AromaticContact CE1-NE1 3.3Å; F189-W193 VanDerWaalsContact CE1-NE1 3.3Å
190N56Low53.4Low72 Ų72136.8 Ų136.839%0.38566%0.663SS.*Hα-helixtrans-73.4-20.7-176.1-95.1-49000114.5
191D54.5Low53.4Low118 Ų118137.6 Ų137.663%0.63167%0.669SS**Hα-helixtrans-80.4-29.8-179.8-79-17.4000113.1F189 W193 G195F189-D191 VanDerWaalsContact C-N 3.35Å; F189-D191 PolarHBondContact O-N 2.82Å; D191-W193 VanDerWaalsContact C-N 3.32Å; D191-W193 PolarHBondContact O-N 2.78Å; D191-G195 PolarHBondContact O-N 2.66Å
192S55.9Low53.3Low76 Ų76141.9 Ų141.953%0.53168%0.682SS.*Hα-helixtrans-66.3-34.8179.6-22.90000112.3F189F189-S192 PolarHBondContact O-OG 3.48Å
193W54.8Low53.3Low161 Ų161140.9 Ų140.961%0.6169%0.685SS**Hα-helixtrans-81-36.7-178.8-65.998.3000112.3F189 D191F189-W193 AromaticContact CD1-NE1 3.42Å; F189-W193 HydrophobicContact CE1-CZ2 4.4Å; F189-W193 AromaticContact CE1-NE1 3.3Å; F189-W193 VanDerWaalsContact CE1-NE1 3.3Å; D191-W193 VanDerWaalsContact C-N 3.32Å; D191-W193 PolarHBondContact O-N 2.78Å
194R53.1Low53.7Low150 Ų150139 Ų13957%0.56669%0.685SS**Hα-helixtrans-74.8-34.6178.4-74.3-167.5-79.7-95.311.7113R196 L197R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.76Å; R194-L197 PolarHBondContact O-N 2.78Å
195G51.3Low54.3Low55 Ų55140.2 Ų140.257%0.56769%0.694SS**Hα-helixtrans-68.8-25.8176.300000114.6D191D191-G195 PolarHBondContact O-N 2.66Å
196R51.1Low54.7Low212 Ų212146.5 Ų146.580%0.871%0.713SS**Hα-helixtrans-80.1-25178.9-174.2177.8-107-113.43.4113.2R194R194-R196 VanDerWaalsContact C-N 3.33Å; R194-R196 PolarHBondContact O-N 2.76Å
197L53.2Low55.4Low149 Ų149143.2 Ų143.278%0.7871%0.713SS**THydrogen-bonded Turntrans-82.2-12.8-176.6-84162.3000114.6R194R194-L197 PolarHBondContact O-N 2.78Å
198Q53.8Low56.1Low180 Ų180145.4 Ų145.484%0.84172%0.719SS**THydrogen-bonded Turntrans-109.65.1-175.6-67.2-144.643.300115.4
199R46.3Very low56.9Low209 Ų209146.6 Ų146.679%0.78972%0.718SS**SBendtrans-93.9105.6169.6-158.9179.4-64.3-134.91.5108.5Q201R199-Q201 WeakPolarHBondContact O-CG 3.46Å; R199-Q201 PolarHBondContact O-N 2.78Å
200G52.6Low58.1Low81 Ų81143.3 Ų143.384%0.83571%0.706SS**  trans-4393.5-177.600000114.2
201Q49.5Very low58.7Low173 Ų173146.3 Ų146.381%0.80872%0.722SS**  trans-117.1112172.4-71.3-100.7-71.900105.8R199 Q203R199-Q201 WeakPolarHBondContact O-CG 3.46Å; R199-Q201 PolarHBondContact O-N 2.78Å; Q201-Q203 PolarHBondContact O-N 3.29Å
202K49.1Very low59.5Low200 Ų200145.7 Ų145.787%0.8772%0.719SS**  trans-26.9122.1158.9-154177.7-174.5-173.10108.4E204K202-E204 PolarHBondContact O-N 3.47Å
203Q52.4Low60.3Low194 Ų194146 Ų14691%0.90772%0.721SS**  trans-61.491.2175.7-66.5-166.945.500107.8Q201Q201-Q203 PolarHBondContact O-N 3.29Å
204E61.7Low60.7Low169 Ų169144.7 Ų144.779%0.7972%0.721SS**  trans-65.2131.2157.2-86.1-161.2151.900106.3K202 K206K202-E204 PolarHBondContact O-N 3.47Å; E204-K206 PolarHBondContact O-N 3.25Å
205P69.9Low61.2Low115 Ų115142.1 Ų142.175%0.74772%0.722SS**  trans-55.8129.3172.524.7-31.2000107.3A207P205-A207 PolarHBondContact O-N 3.42Å
206K65.3Low61.7Low217 Ų217144.1 Ų144.194%0.94373%0.727SS**  trans-63.683.5169.8-75.6167.4174.2175.70107.3E204E204-K206 PolarHBondContact O-N 3.25Å
207A66.2Low62.2Low78 Ų78141 Ų14165%0.64572%0.72SS**  trans-74.8124.617000000106.8P205 R209P205-A207 PolarHBondContact O-N 3.42Å; A207-R209 PolarHBondContact O-N 3.46Å
208D71.7Confident62.7Low120 Ų120136.2 Ų136.264%0.64271%0.707SS**  trans-57.1127.1165.1-148.1-16.6000107D210D208-D210 WeakPolarHBondContact CB-OD1 3.27Å; D208-D210 VanDerWaalsContact CG-OD1 3.28Å
209R73.5Confident63.1Low222 Ų222129.4 Ų129.484%0.83868%0.684SS**  trans-120.431.5-174.8-149-179.6-178.2149.31.3109.1A207A207-R209 PolarHBondContact O-N 3.46Å
210D79Confident64Low58 Ų58123 Ų12331%0.3167%0.666SS.*  trans-62.4163.2164.647.7-5.1000111.3D208 D212 S213D208-D210 WeakPolarHBondContact CB-OD1 3.27Å; D208-D210 VanDerWaalsContact CG-OD1 3.28Å; D210-D212 VanDerWaalsContact C-N 3.28Å; D210-D212 WeakPolarHBondContact CB-OD1 3.35Å; D210-D212 PolarHBondContact O-N 3.02Å; D210-S213 WeakPolarHBondContact O-CB 3.43Å; D210-S213 PolarHBondContact O-N 3.39Å; D210-S213 PolarHBondContact OD1-OG 3.22Å
211L68.6Low64.6Low135 Ų135123.5 Ų123.571%0.70765%0.649SS**G310 helixtrans-75-19.5-166.2-68.7170.2000113.1S213 Q214L211-S213 VanDerWaalsContact C-N 3.34Å; L211-Q214 PolarHBondContact O-N 3.29Å
212D70.5Confident65.4Low106 Ų106123.2 Ų123.257%0.56765%0.648SS**G310 helixtrans-68.5-32173.659.2-13.7000112.1D210 Q214 V215D210-D212 VanDerWaalsContact C-N 3.28Å; D210-D212 WeakPolarHBondContact CB-OD1 3.35Å; D210-D212 PolarHBondContact O-N 3.02Å; D212-Q214 PolarHBondContact O-N 3.22Å; D212-V215 PolarHBondContact O-N 3.03Å
213S72.1Confident66.2Low82 Ų82120.1 Ų120.157%0.57364%0.639SS**G310 helixtrans-66.9-17.1173.1-65.40000113.7D210 L211D210-S213 WeakPolarHBondContact O-CB 3.43Å; D210-S213 PolarHBondContact O-N 3.39Å; D210-S213 PolarHBondContact OD1-OG 3.22Å; L211-S213 VanDerWaalsContact C-N 3.34Å
214Q64.4Low66.9Low134 Ų134117.1 Ų117.163%0.62663%0.629SS**G310 helixtrans-92-8.5177.5-61.7-177.221.800113.3L211 D212 S216L211-Q214 PolarHBondContact O-N 3.29Å; D212-Q214 PolarHBondContact O-N 3.22Å; Q214-S216 PolarHBondContact O-N 2.97Å
215V63.3Low67.1Low96 Ų96111.8 Ų111.858%0.58261%0.613SS**  trans-85.392.1174.5-173.30000108.1D212 F217D212-V215 PolarHBondContact O-N 3.03Å; V215-F217 PolarHBondContact O-N 3.23Å
216S62.1Low66.8Low97 Ų97109.6 Ų109.668%0.67860%0.599SS**  trans-63.9124.1167.8-178.10000109Q214 G218 G219Q214-S216 PolarHBondContact O-N 2.97Å; S216-G218 PolarHBondContact O-N 2.99Å; S216-G219 PolarHBondContact O-N 2.96Å; S216-G219 VanDerWaalsContact O-N 3.16Å
217F60.5Low66.9Low146 Ų146102.4 Ų102.464%0.6458%0.575SS**G310 helixtrans-48.4-25179.4-176.4-94.9000113.6V215 G219 L220V215-F217 PolarHBondContact O-N 3.23Å; F217-G219 PolarHBondContact O-N 3.34Å; F217-G219 VanDerWaalsContact O-N 3.14Å; F217-L220 PolarHBondContact O-N 3.48Å
218G64Low66.8Low49 Ų49104.1 Ų104.151%0.50559%0.589SS.*G310 helixtrans-64.8-13.3179.900000116.4S216S216-G218 PolarHBondContact O-N 2.99Å
219G61.8Low66.1Low36 Ų36109 Ų10937%0.37160%0.599SS.*G310 helixtrans-84.9-26.9173.800000113.9S216 F217 Q222 I223S216-G219 PolarHBondContact O-N 2.96Å; S216-G219 VanDerWaalsContact O-N 3.16Å; F217-G219 PolarHBondContact O-N 3.34Å; F217-G219 VanDerWaalsContact O-N 3.14Å; G219-Q222 PolarHBondContact O-N 2.62Å; G219-I223 WeakPolarHBondContact O-CG1 3.36Å; G219-I223 PolarHBondContact O-N 2.9Å
220L66.8Low65.3Low76 Ų76100.2 Ų100.240%0.39857%0.571SS.*Hα-helixtrans-72.5-37.2-179.7-75.3172.3000111.4F217 Q222 I223 L224F217-L220 PolarHBondContact O-N 3.48Å; L220-Q222 PolarHBondContact O-N 3.13Å; L220-I223 CarbonylContact O-C 3.59Å; L220-I223 PolarHBondContact O-N 2.82Å; L220-L224 HydrophobicContact CB-CD1 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.21Å
221D63.7Low64.3Low90 Ų90103.1 Ų103.148%0.48160%0.596SS.*Hα-helixtrans-59.8-31.5176-67.9-24000112A225D221-A225 WeakPolarHBondContact O-CA 3.46Å; D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 2.74Å
222Q66.2Low64.2Low167 Ų167102.1 Ų102.178%0.7860%0.596SS**Hα-helixtrans-77.9-22.7178.1-157.3165.863.600113G219 L220G219-Q222 PolarHBondContact O-N 2.62Å; L220-Q222 PolarHBondContact O-N 3.13Å
223I66.3Low64.2Low136 Ų136104.5 Ų104.570%0.69760%0.604SS**Hα-helixtrans-89.1-35175.9-62.4166.3000110.7G219 L220G219-I223 WeakPolarHBondContact O-CG1 3.36Å; G219-I223 PolarHBondContact O-N 2.9Å; L220-I223 CarbonylContact O-C 3.59Å; L220-I223 PolarHBondContact O-N 2.82Å
224L66.8Low64.1Low131 Ų131105.9 Ų105.969%0.68661%0.611SS**Hα-helixtrans-86-17.1178.2-64.3176.4000112.7L220 P226L220-L224 HydrophobicContact CB-CD1 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.46Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.32Å; L220-L224 PolarHBondContact O-N 3.21Å; L224-P226 VanDerWaalsContact O-CD 3.28Å; L224-P226 WeakPolarHBondContact O-CD 3.32Å
225A67Low64.5Low56 Ų56107.5 Ų107.546%0.46362%0.616SS.*SBendtrans-62116.3171.300000108.8D221D221-A225 WeakPolarHBondContact O-CA 3.46Å; D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 2.74Å
226P64Low64.7Low69 Ų69111.9 Ų111.945%0.44863%0.632SS.*PPolyproline II helixtrans-60.3138.7173.925.2-31.1000108.3L224L224-P226 VanDerWaalsContact O-CD 3.28Å; L224-P226 WeakPolarHBondContact O-CD 3.32Å
227P67Low65.2Low66 Ų66114.8 Ų114.843%0.42963%0.628SS.*PPolyproline II helixtrans-58.8146.9-177.825.8-34.7000109.7W229 S230P227-W229 HydrophobicContact CG-CD2 4.47Å; P227-W229 HydrophobicContact CG-CZ2 3.98Å; P227-W229 PolarHBondContact O-N 2.78Å; P227-S230 WeakPolarHBondContact O-CA 2.93Å; P227-S230 WeakPolarHBondContact O-CB 3.35Å; P227-S230 PolarHBondContact O-N 3.14Å
228A63.1Low65.6Low115 Ų115110.5 Ų110.595%0.9562%0.616SS**THydrogen-bonded Turntrans-56.9-10.5-168.200000116.5
229W56.7Low66.3Low222 Ų222116.8 Ų116.884%0.84163%0.626SS**THydrogen-bonded Turntrans-93.1-12.1173.558.2-89.9000113.6P227P227-W229 HydrophobicContact CG-CD2 4.47Å; P227-W229 HydrophobicContact CG-CZ2 3.98Å; P227-W229 PolarHBondContact O-N 2.78Å
230S57.3Low67.4Low37 Ų37121 Ų12126%0.25963%0.634SS.*  trans-104.275.2175.3-177.90000109.3P227 T232P227-S230 WeakPolarHBondContact O-CA 2.93Å; P227-S230 WeakPolarHBondContact O-CB 3.35Å; P227-S230 PolarHBondContact O-N 3.14Å; S230-T232 PolarHBondContact O-N 3.03Å
231S59.4Low68.5Low120 Ų120123.8 Ų123.884%0.83965%0.645SS**  trans-66.23.7169.9-179.30000113Q233S231-Q233 PolarHBondContact O-N 3.35Å
232T65.6Low69.8Low113 Ų113121.5 Ų121.569%0.69364%0.636SS**  trans-101.684.2-174.1-48.40000108.6S230S230-T232 PolarHBondContact O-N 3.03Å
233Q69.6Low71.2Confident157 Ų157117 Ų11773%0.73462%0.62SS**  trans-52.9135.5165.6-173.2176.2-2.800108.9S231 K235S231-Q233 PolarHBondContact O-N 3.35Å; Q233-K235 PolarHBondContact O-N 3.24Å
234P70.9Confident72.5Confident111 Ų111114.2 Ų114.272%0.72161%0.609SS**  trans-59.4111.1177.522.7-32000109.1M236P234-M236 PolarHBondContact O-N 2.96Å
235K72.4Confident73.9Confident168 Ų168111.8 Ų111.873%0.7360%0.6SS**  trans-78.3104.9178.1-170.7169.7-176.3172.60107.8Q233 R237Q233-K235 PolarHBondContact O-N 3.24Å; K235-R237 HydrophobicContact CG-CG 4.18Å; K235-R237 PolarHBondContact O-N 3.44Å; K235-R237 VanDerWaalsContact O-N 3.11Å
236M67.1Low75.3Confident187 Ų187112.2 Ų112.292%0.92160%0.597SS**  trans-60.7115.4167.5-63.6-179.872.700107.6P234P234-M236 PolarHBondContact O-N 2.96Å
237R72.5Confident76.8Confident159 Ų159115.1 Ų115.160%0.660%0.602SS**  trans-110.5118.7175.1-67-177.5179.4-155.72.4107.4K235 Y239K235-R237 HydrophobicContact CG-CG 4.18Å; K235-R237 PolarHBondContact O-N 3.44Å; K235-R237 VanDerWaalsContact O-N 3.11Å; R237-Y239 HydrophobicContact CB-CD2 4.29Å; R237-Y239 HydrophobicContact CB-CE1 4.26Å; R237-Y239 HydrophobicContact CB-CE2 3.58Å; R237-Y239 WeakPolarHBondContact CD-OH 2.74Å
238S70.4Confident78.1Confident55 Ų55114.9 Ų114.939%0.38560%0.599SS.*  trans-85.3119171.8-179.80000108.5F240 G264S238-F240 WeakPolarHBondContact OG-CD1 3.34Å; S238-F240 WeakPolarHBondContact OG-CE1 3.38Å; S238-G264 WeakPolarHBondContact OG-CA 3.45Å
239Y78.6Confident79.7Confident181 Ų181114.2 Ų114.271%0.7158%0.583SS**  trans-112.913.7174.8-56.4-76.4000111.6R237R237-Y239 HydrophobicContact CB-CD2 4.29Å; R237-Y239 HydrophobicContact CB-CE1 4.26Å; R237-Y239 HydrophobicContact CB-CE2 3.58Å; R237-Y239 WeakPolarHBondContact CD-OH 2.74Å
240F85Confident81.4Confident125 Ų125106.9 Ų106.955%0.54856%0.557SS.*  trans-69.8140.2179.973.3-106.7000109.9S238 D263 G264S238-F240 WeakPolarHBondContact OG-CD1 3.34Å; S238-F240 WeakPolarHBondContact OG-CE1 3.38Å; F240-D263 WeakPolarHBondContact CE2-O 3.24Å; F240-D263 CarbonylContact O-C 3.48Å; F240-G264 VanDerWaalsContact CE2-CA 3.44Å; F240-G264 WeakPolarHBondContact O-CA 3.2Å; F240-G264 PolarHBondContact O-N 3.11Å
241Q89.8Confident83.2Confident134 Ų134112 Ų11263%0.62659%0.59SS**EExtended strand (participates in β ladder)trans-136121.9169.9-172175.333.700106V261 Q262Q241-V261 HydrophobicContact CG-CG1 3.63Å; Q241-Q262 CarbonylContact C-O 3.45Å; Q241-Q262 WeakPolarHBondContact CA-O 3.01Å
242S91.3Very high84.6Confident43 Ų43111.9 Ų111.930%0.30158%0.58SS.*EExtended strand (participates in β ladder)trans-98.7140.5174.467.20000109.2V261 Q262S242-V261 CarbonylContact O-C 3.55Å; S242-V261 WeakPolarHBondContact O-CA 3.31Å; S242-Q262 PolarHBondContact N-O 2.74Å; S242-Q262 PolarHBondContact O-N 3.33Å; S242-Q262 WeakPolarHBondContact OG-CB 3.32Å; S242-Q262 PolarHBondContact OG-O 3.12Å
243V95.1Very high85.7Confident73 Ų73109.1 Ų109.144%0.44257%0.574SS.*EExtended strand (participates in β ladder)trans-125.3119.1179.3-176.30000107.8V245 R259 T260 V261V243-V245 HydrophobicContact CG1-CG2 4.21Å; V243-R259 HydrophobicContact CG1-CG 4.15Å; V243-T260 CarbonylContact C-O 3.55Å; V243-T260 WeakPolarHBondContact CA-O 3.25Å; V243-V261 HydrophobicContact CG1-CG2 4.39Å; V243-V261 HydrophobicContact CG2-CG2 4.34Å
244T94.1Very high86.7Confident77 Ų77102.2 Ų102.247%0.47254%0.543SS..EExtended strand (participates in β ladder)trans-109.1123.4175.7-58.40000108.8R259 T260T244-R259 CarbonylContact O-C 3.57Å; T244-R259 WeakPolarHBondContact O-CA 3.43Å; T244-T260 PolarHBondContact N-O 3.36Å; T244-T260 PolarHBondContact O-N 3.35Å
245V95.8Very high87.8Confident80 Ų8097.9 Ų97.949%0.48551%0.514SS..EExtended strand (participates in β ladder)trans-114.2120175.7-176.20000108.6V243 E257 R258 R259V243-V245 HydrophobicContact CG1-CG2 4.21Å; V245-E257 HydrophobicContact CG1-CG 3.69Å; V245-R258 CarbonylContact C-O 3.55Å; V245-R258 WeakPolarHBondContact CA-O 3.41Å; V245-R259 HydrophobicContact CG2-CG 4.32Å
246T95.4Very high88.9Confident64 Ų6491 Ų9139%0.39348%0.484SS..EExtended strand (participates in β ladder)trans-113.3115176.6-520000109.2V248 E257 R258T246-V248 HydrophobicContact CG2-CG2 4.25Å; T246-E257 CarbonylContact O-C 3.55Å; T246-E257 WeakPolarHBondContact O-CA 3.49Å; T246-R258 PolarHBondContact N-O 3.43Å; T246-R258 PolarHBondContact O-N 3.29Å
247K95.3Very high90.2Very high131 Ų13184.7 Ų84.757%0.5745%0.453SS*.EExtended strand (participates in β ladder)trans-108116.6178.9-166.6178.1-170.7177.20109.6V255 E256K247-V255 HydrophobicContact CD-CG1 3.99Å; K247-V255 HydrophobicContact CG-CG1 3.49Å; K247-V255 VanDerWaalsContact CG-CG1 3.49Å; K247-E256 CarbonylContact C-O 3.59Å; K247-E256 WeakPolarHBondContact CA-O 3.27Å
248V95.9Very high91.3Very high60 Ų6082.3 Ų82.336%0.36444%0.444SS..EExtended strand (participates in β ladder)trans-109.8117.3178.5-178.10000108.4T246 V255 E256T246-V248 HydrophobicContact CG2-CG2 4.25Å; V248-V255 CarbonylContact O-C 3.53Å; V248-V255 WeakPolarHBondContact O-CA 3.35Å; V248-E256 HydrophobicContact CB-CB 4.38Å; V248-E256 PolarHBondContact N-O 3.03Å; V248-E256 PolarHBondContact O-N 3.46Å
249V95.2Very high92.4Very high102 Ų10285.4 Ų85.462%0.61845%0.447SS*.EExtended strand (participates in β ladder)trans-91.1123.4171.4-173.50000107.9V255V249-V255 HydrophobicContact CG2-CG2 4.24Å
250K93.8Very high93.3Very high68 Ų6877.9 Ų77.930%0.29642%0.42SS..  trans-85.8158.4177.3-74.6-169.1-161.1160.90111D252 G253 S254 E256K250-D252 WeakPolarHBondContact CB-OD1 3.39Å; K250-D252 PolarHBondContact O-N 3.12Å; K250-D252 VanDerWaalsContact O-N 3.13Å; K250-G253 PolarHBondContact O-N 3.43Å; K250-S254 WeakPolarHBondContact CD-OG 3.48Å; K250-S254 PolarHBondContact N-O 2.88Å; K250-E256 VanDerWaalsContact CE-CD 3.41Å; K250-E256 WeakPolarHBondContact CE-OE1 3.06Å; K250-E256 IonicContact NZ-OE1 3.77Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å
251P93.8Very high93.8Very high145 Ų14572.5 Ų72.594%0.94240%0.398SS*.THydrogen-bonded Turntrans-62.6-16.7176.325.9-35.8000113.9G253P251-G253 PolarHBondContact O-N 3.01Å
252D89.4Confident94Very high116 Ų11670 Ų7062%0.6239%0.386SS*.THydrogen-bonded Turntrans-81.71.6174.164.21000113.4K250 S254K250-D252 WeakPolarHBondContact CB-OD1 3.39Å; K250-D252 PolarHBondContact O-N 3.12Å; K250-D252 VanDerWaalsContact O-N 3.13Å; D252-S254 VanDerWaalsContact CG-OG 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å; D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.21Å; D252-S254 PolarHBondContact OD1-N 3.17Å; D252-S254 PolarHBondContact OD1-OG 3.41Å; D252-S254 PolarHBondContact OD2-OG 3.12Å
253G88.1Confident94.1Very high55 Ų5569.9 Ų69.957%0.56738%0.382SS*.SBendtrans78.41.6-176.800000114.2K250 P251K250-G253 PolarHBondContact O-N 3.43Å; P251-G253 PolarHBondContact O-N 3.01Å
254S92Very high93.5Very high12 Ų1267.3 Ų67.38%0.08437%0.37CS..  trans-77.6158.3170.173.10000111.3K250 D252 I275 G276K250-S254 WeakPolarHBondContact CD-OG 3.48Å; K250-S254 PolarHBondContact N-O 2.88Å; D252-S254 VanDerWaalsContact CG-OG 3.26Å; D252-S254 PolarHBondContact O-N 3.12Å; D252-S254 VanDerWaalsContact OD1-CB 3.27Å; D252-S254 WeakPolarHBondContact OD1-CB 3.21Å; D252-S254 PolarHBondContact OD1-N 3.17Å; D252-S254 PolarHBondContact OD1-OG 3.41Å; D252-S254 PolarHBondContact OD2-OG 3.12Å; S254-I275 CarbonylContact C-O 3.52Å; S254-G276 WeakPolarHBondContact CB-O 3.48Å
255V93.6Very high93.1Very high21 Ų2171.3 Ų71.313%0.12738%0.384CS..EExtended strand (participates in β ladder)trans-128.5123.6-175.8177.40000108.6K247 V248 V249 Y274 I275K247-V255 HydrophobicContact CD-CG1 3.99Å; K247-V255 HydrophobicContact CG-CG1 3.49Å; K247-V255 VanDerWaalsContact CG-CG1 3.49Å; V248-V255 CarbonylContact O-C 3.53Å; V248-V255 WeakPolarHBondContact O-CA 3.35Å; V249-V255 HydrophobicContact CG2-CG2 4.24Å; V255-Y274 CarbonylContact O-C 3.55Å; V255-Y274 WeakPolarHBondContact O-CA 3.35Å; V255-I275 WeakPolarHBondContact CA-O 2.94Å; V255-I275 HydrophobicContact CB-CB 4.19Å; V255-I275 WeakPolarHBondContact CB-O 3.27Å; V255-I275 PolarHBondContact N-O 3.13Å; V255-I275 PolarHBondContact O-N 2.91Å
256E94.1Very high92.5Very high22 Ų2270 Ų7010%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-98.3119.4166.6-50-170.5165.700109K247 V248 K250 R258 Y274K247-E256 CarbonylContact C-O 3.59Å; K247-E256 WeakPolarHBondContact CA-O 3.27Å; V248-E256 HydrophobicContact CB-CB 4.38Å; V248-E256 PolarHBondContact N-O 3.03Å; V248-E256 PolarHBondContact O-N 3.46Å; K250-E256 VanDerWaalsContact CE-CD 3.41Å; K250-E256 WeakPolarHBondContact CE-OE1 3.06Å; K250-E256 IonicContact NZ-OE1 3.77Å; K250-E256 PolarHBondContact NZ-OE1 3.35Å; E256-R258 IonicContact OE2-CZ 3.77Å; E256-R258 IonicContact OE2-NE 3.8Å; E256-R258 IonicContact OE2-NH2 2.9Å; E256-R258 PolarHBondContact OE2-NH2 3.36Å; E256-Y274 HydrophobicContact CB-CD1 4.39Å; E256-Y274 HydrophobicContact CB-CE1 4.37Å; E256-Y274 HydrophobicContact CG-CD1 3.72Å; E256-Y274 HydrophobicContact CG-CE1 3.64Å; E256-Y274 WeakPolarHBondContact OE1-CE1 3.37Å
257E95Very high92.1Very high56 Ų5671.3 Ų71.326%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-105.7119.5170.7-172.3176.1136.400109.5V245 T246 V272 T273V245-E257 HydrophobicContact CG1-CG 3.69Å; T246-E257 CarbonylContact O-C 3.55Å; T246-E257 WeakPolarHBondContact O-CA 3.49Å; E257-V272 CarbonylContact O-C 3.55Å; E257-V272 WeakPolarHBondContact O-CA 3.33Å; E257-T273 PolarHBondContact N-O 3.28Å; E257-T273 PolarHBondContact O-N 3.08Å
258R95.1Very high92Very high109 Ų10971.1 Ų71.141%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-107.6112.2175.7-52.9-176.3-178.4167.52.8108.5V245 T246 E256 T271 V272V245-R258 CarbonylContact C-O 3.55Å; V245-R258 WeakPolarHBondContact CA-O 3.41Å; T246-R258 PolarHBondContact N-O 3.43Å; T246-R258 PolarHBondContact O-N 3.29Å; E256-R258 IonicContact OE2-CZ 3.77Å; E256-R258 IonicContact OE2-NE 3.8Å; E256-R258 IonicContact OE2-NH2 2.9Å; E256-R258 PolarHBondContact OE2-NH2 3.36Å; R258-T271 CarbonylContact C-O 3.51Å; R258-T271 WeakPolarHBondContact CA-O 3.36Å; R258-V272 HydrophobicContact CB-CG2 4.43Å; R258-V272 HydrophobicContact CG-CG1 4.13Å; R258-V272 HydrophobicContact CG-CG2 4.02Å
259R95.1Very high91.8Very high119 Ų11974.4 Ų74.445%0.44940%0.404SS..EExtended strand (participates in β ladder)trans-103.2114.6175.9-179.8174.9-177.2-105.90.9109.3V243 T244 V245 V261 T270 T271V243-R259 HydrophobicContact CG1-CG 4.15Å; T244-R259 CarbonylContact O-C 3.57Å; T244-R259 WeakPolarHBondContact O-CA 3.43Å; V245-R259 HydrophobicContact CG2-CG 4.32Å; R259-V261 HydrophobicContact CG-CG2 4.32Å; R259-T270 CarbonylContact O-C 3.56Å; R259-T270 WeakPolarHBondContact O-CA 3.34Å; R259-T271 PolarHBondContact N-O 3.06Å; R259-T271 PolarHBondContact O-N 3.34Å
260T95.7Very high91.8Very high24 Ų2473.3 Ų73.315%0.14740%0.397CS..EExtended strand (participates in β ladder)trans-110.1125.8178.3-51.40000109.2V243 T244 E268 E269V243-T260 CarbonylContact C-O 3.55Å; V243-T260 WeakPolarHBondContact CA-O 3.25Å; T244-T260 PolarHBondContact N-O 3.36Å; T244-T260 PolarHBondContact O-N 3.35Å; T260-E268 HydrophobicContact CG2-CG 3.49Å; T260-E268 VanDerWaalsContact CG2-CG 3.49Å; T260-E268 WeakPolarHBondContact CG2-OE1 3.22Å; T260-E269 CarbonylContact C-O 3.54Å; T260-E269 VanDerWaalsContact CA-O 3.32Å; T260-E269 WeakPolarHBondContact CA-O 3.31Å
261V95.8Very high91.8Very high12 Ų1272.8 Ų72.87%0.07340%0.4CS..EExtended strand (participates in β ladder)trans-116.7114.9-178.5-179.60000107.9Q241 S242 V243 R259 E268 E269Q241-V261 HydrophobicContact CG-CG1 3.63Å; S242-V261 CarbonylContact O-C 3.55Å; S242-V261 WeakPolarHBondContact O-CA 3.31Å; V243-V261 HydrophobicContact CG1-CG2 4.39Å; V243-V261 HydrophobicContact CG2-CG2 4.34Å; R259-V261 HydrophobicContact CG-CG2 4.32Å; V261-E268 CarbonylContact O-C 3.53Å; V261-E268 WeakPolarHBondContact O-CA 3.28Å; V261-E269 PolarHBondContact N-O 3.38Å; V261-E269 PolarHBondContact O-N 3.06Å
262Q95.2Very high91.8Very high82 Ų8268.8 Ų68.838%0.38337%0.373SS..EExtended strand (participates in β ladder)trans-117.8127.5-179.1177.1-175.237.200110.8Q241 S242 N267Q241-Q262 CarbonylContact C-O 3.45Å; Q241-Q262 WeakPolarHBondContact CA-O 3.01Å; S242-Q262 PolarHBondContact N-O 2.74Å; S242-Q262 PolarHBondContact O-N 3.33Å; S242-Q262 WeakPolarHBondContact OG-CB 3.32Å; S242-Q262 PolarHBondContact OG-O 3.12Å; Q262-N267 CarbonylContact C-O 3.54Å; Q262-N267 VanDerWaalsContact CA-O 3.27Å; Q262-N267 WeakPolarHBondContact CA-O 3.46Å
263D92Very high91.9Very high39 Ų3966.5 Ų66.521%0.20936%0.363CS..EExtended strand (participates in β ladder)trans-92.6175.3-175.878.17.8000114.4F240 Q265 G266 N267F240-D263 WeakPolarHBondContact CE2-O 3.24Å; F240-D263 CarbonylContact O-C 3.48Å; D263-Q265 PolarHBondContact O-N 3.23Å; D263-Q265 VanDerWaalsContact O-N 3.12Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.41Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.35Å; D263-Q265 PolarHBondContact OD1-N 3.45Å; D263-G266 PolarHBondContact O-N 3.11Å; D263-G266 PolarHBondContact OD1-N 3.28Å; D263-N267 PolarHBondContact N-O 3.46Å; D263-N267 PolarHBondContact OD1-N 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.32Å; D263-N267 PolarHBondContact OD2-ND2 3.25Å
264G83.8Confident92Very high20 Ų2071.2 Ų71.221%0.20637%0.365CS..THydrogen-bonded Turntrans-58.8-16.2176.600000116.2S238 F240S238-G264 WeakPolarHBondContact OG-CA 3.45Å; F240-G264 VanDerWaalsContact CE2-CA 3.44Å; F240-G264 WeakPolarHBondContact O-CA 3.2Å; F240-G264 PolarHBondContact O-N 3.11Å
265Q84.6Confident91.5Very high160 Ų16075 Ų7575%0.74838%0.383SS*.THydrogen-bonded Turntrans-107.8-3.6-172-59.6175.9-4.600111.5D263D263-Q265 PolarHBondContact O-N 3.23Å; D263-Q265 VanDerWaalsContact O-N 3.12Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.41Å; D263-Q265 WeakPolarHBondContact OD1-CB 3.35Å; D263-Q265 PolarHBondContact OD1-N 3.45Å
266G83.6Confident90.3Very high52 Ų5276.3 Ų76.354%0.53640%0.401SS..SBendtrans87.710.1-178.800000114.2D263D263-G266 PolarHBondContact O-N 3.11Å; D263-G266 PolarHBondContact OD1-N 3.28Å
267N87.5Confident88.2Confident93 Ų9378.9 Ų78.950%0.49743%0.433SS..  trans-77.5139.5171.1-51.6-57.6000109.6Q262 D263Q262-N267 CarbonylContact C-O 3.54Å; Q262-N267 VanDerWaalsContact CA-O 3.27Å; Q262-N267 WeakPolarHBondContact CA-O 3.46Å; D263-N267 PolarHBondContact N-O 3.46Å; D263-N267 PolarHBondContact OD1-N 2.94Å; D263-N267 WeakPolarHBondContact OD2-CB 3.32Å; D263-N267 PolarHBondContact OD2-ND2 3.25Å
268E92.6Very high85.9Confident127 Ų12788.2 Ų88.259%0.59347%0.466SS*.EExtended strand (participates in β ladder)trans-128.7130.6-177.2-174.3-17916200110.3T260 V261T260-E268 HydrophobicContact CG2-CG 3.49Å; T260-E268 VanDerWaalsContact CG2-CG 3.49Å; T260-E268 WeakPolarHBondContact CG2-OE1 3.22Å; V261-E268 CarbonylContact O-C 3.53Å; V261-E268 WeakPolarHBondContact O-CA 3.28Å
269E92.9Very high84Confident129 Ų12992.8 Ų92.860%0.60349%0.492SS*.EExtended strand (participates in β ladder)trans-121.9123.4175.2-176.8-180176.600109.6T260 V261T260-E269 CarbonylContact C-O 3.54Å; T260-E269 VanDerWaalsContact CA-O 3.32Å; T260-E269 WeakPolarHBondContact CA-O 3.31Å; V261-E269 PolarHBondContact N-O 3.38Å; V261-E269 PolarHBondContact O-N 3.06Å
270T94.6Very high81.6Confident78 Ų7890.2 Ų90.248%0.47950%0.503SS..EExtended strand (participates in β ladder)trans-112.4124.9177.5-57.50000110.9R259 V272R259-T270 CarbonylContact O-C 3.56Å; R259-T270 WeakPolarHBondContact O-CA 3.34Å; T270-V272 HydrophobicContact CG2-CG2 4.27Å
271T94.5Very high79.1Confident58 Ų5894.7 Ų94.736%0.35653%0.53SS..EExtended strand (participates in β ladder)trans-111.2131.3172.1-46.20000109.4R258 R259R258-T271 CarbonylContact C-O 3.51Å; R258-T271 WeakPolarHBondContact CA-O 3.36Å; R259-T271 PolarHBondContact N-O 3.06Å; R259-T271 PolarHBondContact O-N 3.34Å
272V93.4Very high76.6Confident61 Ų61102.5 Ų102.537%0.3757%0.565SS.*EExtended strand (participates in β ladder)trans-115.9124.4176.6-175.10000109.6E257 R258 T270 Y274E257-V272 CarbonylContact O-C 3.55Å; E257-V272 WeakPolarHBondContact O-CA 3.33Å; R258-V272 HydrophobicContact CB-CG2 4.43Å; R258-V272 HydrophobicContact CG-CG1 4.13Å; R258-V272 HydrophobicContact CG-CG2 4.02Å; T270-V272 HydrophobicContact CG2-CG2 4.27Å; V272-Y274 HydrophobicContact CG1-CD2 4.38Å; V272-Y274 HydrophobicContact CG1-CE2 3.71Å
273T91.6Very high73.8Confident68 Ų68105 Ų10542%0.41758%0.582SS.*EExtended strand (participates in β ladder)trans-117.2133178.9-53.10000109.3E257 I275E257-T273 PolarHBondContact N-O 3.28Å; E257-T273 PolarHBondContact O-N 3.08Å; T273-I275 HydrophobicContact CG2-CG1 4.23Å
274Y90.4Very high71.5Confident154 Ų154111.4 Ų111.460%0.60461%0.61SS**EExtended strand (participates in β ladder)trans-106.8124.8176.6-61.4-94.8000109.3V255 E256 V272V255-Y274 CarbonylContact O-C 3.55Å; V255-Y274 WeakPolarHBondContact O-CA 3.35Å; E256-Y274 HydrophobicContact CB-CD1 4.39Å; E256-Y274 HydrophobicContact CB-CE1 4.37Å; E256-Y274 HydrophobicContact CG-CD1 3.72Å; E256-Y274 HydrophobicContact CG-CE1 3.64Å; E256-Y274 WeakPolarHBondContact OE1-CE1 3.37Å; V272-Y274 HydrophobicContact CG1-CD2 4.38Å; V272-Y274 HydrophobicContact CG1-CE2 3.71Å
275I80.9Confident69.4Low90 Ų90116 Ų11646%0.46264%0.639SS.*EExtended strand (participates in β ladder)trans-120.9112.9179.4-56.8169.6000107.5S254 V255 T273S254-I275 CarbonylContact C-O 3.52Å; V255-I275 WeakPolarHBondContact CA-O 2.94Å; V255-I275 HydrophobicContact CB-CB 4.19Å; V255-I275 WeakPolarHBondContact CB-O 3.27Å; V255-I275 PolarHBondContact N-O 3.13Å; V255-I275 PolarHBondContact O-N 2.91Å; T273-I275 HydrophobicContact CG2-CG1 4.23Å
276G67.1Low66.9Low50 Ų50111.9 Ų111.952%0.51564%0.64SS.*  trans112118.6176.900000113.2S254S254-G276 WeakPolarHBondContact CB-O 3.48Å
277G49.9Very low64.8Low76 Ų76115.6 Ų115.678%0.78465%0.654SS**SBendtrans144.2117.8-17300000107.2E279G277-E279 PolarHBondContact O-N 3.18Å
278R48.7Very low63Low252 Ų252119.3 Ų119.395%0.95167%0.673SS**  trans-48.2134.8177.8-72.3173.1163.2-169.6-5.3110.1G280R278-G280 PolarHBondContact O-N 3.03Å
279E54.1Low60.5Low205 Ų205121.3 Ų121.396%0.95869%0.687SS**SBendtrans-9.8115.6165.8-168.8175.9-166.100114.9G277G277-E279 PolarHBondContact O-N 3.18Å
280G45.7Very low57.9Low65 Ų65120.6 Ų120.667%0.6769%0.694SS**  trans170.8101.3173.100000114.5R278R278-G280 PolarHBondContact O-N 3.03Å
281V41.5Very low55.6Low118 Ų118123.4 Ų123.472%0.71571%0.713SS**  trans7395.6158.2-161.70000115.7D283V281-D283 HydrophobicContact CG1-CB 4.46Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.49Å; V281-D283 PolarHBondContact O-N 3.11Å
282Q43.6Very low53.1Low175 Ų175124.6 Ų124.682%0.81874%0.737SS**  trans-57.690.1147.1-81.4178.34.700108.2Q284Q282-Q284 PolarHBondContact O-N 3.19Å
283D36.6Very low50.2Low135 Ų135124.4 Ų124.472%0.72275%0.748SS**  trans-74.685162.6-93.8-20.1000107.7V281 S285V281-D283 HydrophobicContact CG1-CB 4.46Å; V281-D283 WeakPolarHBondContact CG1-OD1 3.49Å; V281-D283 PolarHBondContact O-N 3.11Å; D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 PolarHBondContact O-N 2.91Å
284Q43.7Very low48Very low174 Ų174128.3 Ų128.381%0.81377%0.771SS**  trans-61.298.1160.3-66.5-159.843.700108.3Q282Q282-Q284 PolarHBondContact O-N 3.19Å
285S40.2Very low45.4Very low116 Ų116128.3 Ų128.381%0.81178%0.777SS**  trans-121.173.817051.50000111.9D283D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 PolarHBondContact O-N 2.91Å
286G31.4Very low43.6Very low74 Ų74129.3 Ų129.376%0.76379%0.789SS**  trans97.5161.1142.800000118.9
287P40.1Very low42.1Very low129 Ų129135.6 Ų135.684%0.83880%0.802SS**  cis-110.5151.1-16.533.9-18.8000113.6L289P287-L289 PolarHBondContact O-N 2.98Å
288L49.2Very low41.6Very low171 Ų171139.4 Ų139.490%0.89580%0.804SS**  trans-53.7124.8172.7-71.2156.2000113.3
289L39.4Very low41.2Very low170 Ų170135 Ų13589%0.8979%0.794SS**  trans-166.1162148.2-82.7-165.7000111.1P287P287-L289 PolarHBondContact O-N 2.98Å
290P39.1Very low40.5Very low114 Ų114132.7 Ų132.774%0.7479%0.785SS**  -89.2174.8-101.430.4-8.6000115.4G292P290-G292 PolarHBondContact O-N 2.89Å
291P45.5Very low40.4Very low137 Ų137135.6 Ų135.689%0.8978%0.781SS**SBendtrans-81.2118.3-175.732.6-30.8000111.1
292G42.8Very low40.5Very low82 Ų82136.1 Ų136.185%0.84578%0.78SS**  trans150.793.1169.100000113.3P290P290-G292 PolarHBondContact O-N 2.89Å
293G32.2Very low40.6Very low58 Ų58134.2 Ų134.260%0.59878%0.775SS**  trans17685.6173.400000110.7H295G293-H295 PolarHBondContact O-N 3.21Å
294T45.1Very low41.2Very low149 Ų149135.8 Ų135.891%0.91478%0.783SS**  trans-57.5103168.73.20000109.2
295H37.2Very low41.4Very low155 Ų155129.9 Ų129.972%0.71876%0.761SS**  trans-96.8119.6164.7-77.2-77.3000109G293 F297G293-H295 PolarHBondContact O-N 3.21Å; H295-F297 HydrophobicContact CB-CD2 4.37Å; H295-F297 PolarHBondContact O-N 2.89Å; H295-F297 VanDerWaalsContact O-N 3.12Å
296P42.5Very low42Very low110 Ų110130.6 Ų130.671%0.71476%0.755SS**  trans-86.567174.336.7-31.3000108.5
297F36.2Very low42.9Very low183 Ų183134.2 Ų134.280%0.80375%0.75SS**  trans-106.789.3160.8-71.1-71.3000106.3H295 E299H295-F297 HydrophobicContact CB-CD2 4.37Å; H295-F297 PolarHBondContact O-N 2.89Å; H295-F297 VanDerWaalsContact O-N 3.12Å; F297-E299 PolarHBondContact O-N 2.78Å; F297-E299 VanDerWaalsContact O-N 3.12Å
298L38.2Very low43.6Very low155 Ų155131.4 Ų131.481%0.81273%0.733SS**  trans-36.8116.9165.8-77.5137000109.2M300L298-M300 PolarHBondContact O-N 3.27Å
299E41.1Very low43.8Very low159 Ų159131.5 Ų131.574%0.74373%0.726SS**  trans-29.180.1137.8-172.3172.7-159.700110.3F297 H301F297-E299 PolarHBondContact O-N 2.78Å; F297-E299 VanDerWaalsContact O-N 3.12Å; E299-H301 PolarHBondContact O-N 3.45Å; E299-H301 VanDerWaalsContact O-N 3.11Å; E299-H301 IonicContact OE1-NE2 2.66Å
300M39.1Very low44.4Very low158 Ų158131.3 Ų131.378%0.77872%0.718SS**  trans-74.595158.4-89.1-170.4-64.300104.5L298 D302L298-M300 PolarHBondContact O-N 3.27Å; M300-D302 PolarHBondContact O-N 3.32Å
301H43.8Very low45.3Very low125 Ų125134 Ų13458%0.57972%0.719SS**  trans-43114.9156.2-78-85.1000108E299 D303E299-H301 PolarHBondContact O-N 3.45Å; E299-H301 VanDerWaalsContact O-N 3.11Å; E299-H301 IonicContact OE1-NE2 2.66Å; H301-D303 PolarHBondContact O-N 3.08Å
302D43.9Very low45.6Very low129 Ų129130.5 Ų130.569%0.6971%0.708SS**SBendtrans-69.135.5178.6-74.2-43.2000112.4M300 L304 S305M300-D302 PolarHBondContact O-N 3.32Å; D302-L304 PolarHBondContact O-N 3.37Å; D302-S305 WeakPolarHBondContact O-CB 3.05Å; D302-S305 PolarHBondContact O-N 3.02Å; D302-S305 VanDerWaalsContact O-N 3.13Å
303D45.2Very low45.9Very low136 Ų136130 Ų13073%0.72770%0.702SS**THydrogen-bonded Turntrans-74.6-2.4178.3-67.8-6.8000112.1H301H301-D303 PolarHBondContact O-N 3.08Å
304L49.8Very low46.7Very low167 Ų167139 Ų13987%0.87472%0.719SS**THydrogen-bonded Turntrans-108.67.1172.2-61.1178000113.1D302 L306D302-L304 PolarHBondContact O-N 3.37Å; L304-L306 PolarHBondContact O-N 3.08Å; L304-L306 VanDerWaalsContact O-N 3.08Å
305S48.2Very low46.8Very low50 Ų50147.7 Ų147.735%0.3574%0.735SS.*  trans-59.6117.4177.1-1570000109.8D302 F307 S308D302-S305 WeakPolarHBondContact O-CB 3.05Å; D302-S305 PolarHBondContact O-N 3.02Å; D302-S305 VanDerWaalsContact O-N 3.13Å; S305-F307 PolarHBondContact O-N 2.94Å; S305-S308 WeakPolarHBondContact O-CB 3.47Å; S305-S308 PolarHBondContact O-N 3.24Å; S305-S308 PolarHBondContact O-OG 2.88Å
306L52.6Low47.3Very low131 Ų131147.4 Ų147.469%0.68674%0.735SS**Hα-helixtrans-49.2-28-179.7-139.993.5000112.2L304 K309L304-L306 PolarHBondContact O-N 3.08Å; L304-L306 VanDerWaalsContact O-N 3.08Å; L306-K309 PolarHBondContact O-N 3.32Å
307F49.1Very low47.5Very low150 Ų150149.3 Ų149.366%0.65874%0.737SS**Hα-helixtrans-65.2-37.3178-85.8-89.5000114S305 K309 F310 F311S305-F307 PolarHBondContact O-N 2.94Å; F307-K309 PolarHBondContact O-N 2.79Å; F307-F310 PolarHBondContact O-N 3.12Å; F307-F311 HydrophobicContact CD1-CD2 4.47Å; F307-F311 HydrophobicContact CD1-CE2 4.36Å; F307-F311 WeakPolarHBondContact O-CD2 3.49Å; F307-F311 PolarHBondContact O-N 3.36Å
308S55Low48.1Very low70 Ų70147.4 Ų147.449%0.4973%0.733SS.*Hα-helixtrans-66.2-28.3178.2-42.70000111.8S305 G312S305-S308 WeakPolarHBondContact O-CB 3.47Å; S305-S308 PolarHBondContact O-N 3.24Å; S305-S308 PolarHBondContact O-OG 2.88Å; S308-G312 VanDerWaalsContact O-CA 3.27Å; S308-G312 WeakPolarHBondContact O-CA 3.27Å; S308-G312 PolarHBondContact O-N 2.96Å
309K53Low48.7Very low173 Ų173147 Ų14775%0.75273%0.728SS**Hα-helixtrans-80.5-29.4-176.3-132.9168.9177.2-179.30112.9L306 F307L306-K309 PolarHBondContact O-N 3.32Å; F307-K309 PolarHBondContact O-N 2.79Å
310F52.5Low49.2Very low166 Ų166146.3 Ų146.373%0.72873%0.727SS**Hα-helixtrans-84.8-30.4176.4-93.4-87.2000113.4F307F307-F310 PolarHBondContact O-N 3.12Å
311F58.4Low49.9Very low170 Ų170145.5 Ų145.575%0.74672%0.724SS**Hα-helixtrans-118.6-2.4-172-61-78.3000114.7F307 G313F307-F311 HydrophobicContact CD1-CD2 4.47Å; F307-F311 HydrophobicContact CD1-CE2 4.36Å; F307-F311 WeakPolarHBondContact O-CD2 3.49Å; F307-F311 PolarHBondContact O-N 3.36Å; F311-G313 VanDerWaalsContact C-N 3.3Å; F311-G313 PolarHBondContact O-N 3.35Å
312G52.3Low50.3Low64 Ų64146.9 Ų146.966%0.6673%0.734SS**  trans-80.11.3-178.800000116S308S308-G312 VanDerWaalsContact O-CA 3.27Å; S308-G312 WeakPolarHBondContact O-CA 3.27Å; S308-G312 PolarHBondContact O-N 2.96Å
313G49.7Very low50.8Low71 Ų71148.3 Ų148.373%0.73274%0.738SS**  trans-103.477-176.400000113.6F311F311-G313 VanDerWaalsContact C-N 3.3Å; F311-G313 PolarHBondContact O-N 3.35Å
314R48.8Very low51.3Low249 Ų249149.3 Ų149.394%0.9474%0.739SS**  trans-16397.2151.7-106.7175.4-157.4-1455.8110.6
315R45.8Very low51.4Low331 Ų331147.7 Ų147.7100%1.24973%0.726SS**  trans-130.80145.7-88.7-168.7178.5-174.70.9107.7

Retrieved 315 of 315 residues in 404.1 ms (Link to these results)